data_2edw_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 2edw _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 ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.807 0.337 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -117.25 139.21 51.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 72.6 m-85 -68.52 96.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.4 pt -65.21 -31.35 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -126.47 119.78 28.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.33 129.25 34.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.3 m -48.16 162.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -103.66 151.28 23.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -39.43 148.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -111.23 131.2 55.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -144.84 124.74 13.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.98 137.45 9.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -64.91 147.46 53.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -41.35 152.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.4 28.69 73.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.542 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.6 -174.96 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.0 m -126.6 102.62 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.459 ' N ' HD11 ' A' ' 69' ' ' LEU . . . -63.59 164.33 9.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.8 t -148.91 108.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 mt -107.8 112.41 25.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -116.38 147.08 41.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 p -148.11 179.91 7.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -139.23 148.22 42.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 mt -122.73 151.78 41.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -67.33 -21.51 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -153.08 149.29 27.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.37 113.49 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -158.36 150.64 17.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.587 0.708 . . . . 0.0 111.095 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 176.74 6.36 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.0 m -150.38 165.94 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -134.83 88.16 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.495 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 99.3 m95 -57.47 116.52 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.45 ' HD2' ' CG2' ' A' ' 80' ' ' VAL . 48.0 mtt-85 -103.24 -177.41 3.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.548 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 13.5 tmtt? -168.16 132.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.26 44.24 0.25 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.493 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.3 m 71.59 49.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -155.07 145.09 21.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.2 m -88.52 130.65 35.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.0 mt -103.46 164.7 11.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -145.36 144.15 30.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.05 130.43 46.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.76 -125.07 0.77 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -89.46 -50.85 5.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -80.86 -40.31 25.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -95.98 140.05 31.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.01 99.95 4.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.465 HD21 ' CD2' ' A' ' 64' ' ' LEU . 5.3 mt -97.0 120.4 37.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -129.42 129.41 44.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 35.0 tt0 -121.98 144.29 48.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -132.01 75.19 1.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.53 -90.01 1.61 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.1 p -109.75 -22.82 11.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 111.126 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -86.46 152.08 22.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 79.9 m -128.98 172.45 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -160.83 147.3 15.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.495 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 0.5 OUTLIER -150.41 121.05 7.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.456 ' N ' HD21 ' A' ' 64' ' ' LEU . 20.9 mt-30 -108.04 145.85 33.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.1 mt -123.93 96.74 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -80.6 126.59 31.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.73 41.93 2.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 26' ' ' ALA . 53.9 mt -61.51 123.03 16.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.98 169.44 17.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 7.6 mmt -49.75 -46.05 50.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.63 84.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.14 -34.72 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 38.5 m -46.34 100.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.499 ' O ' ' CE ' ' A' ' 89' ' ' MET . . . -158.13 -154.27 7.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -117.93 124.83 49.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.368 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.559 ' CE1' HD22 ' A' ' 90' ' ' LEU . 17.9 m-85 -108.39 139.54 42.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -133.29 130.04 38.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.521 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 6.0 t -101.02 105.34 16.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.45 ' CG2' ' HD2' ' A' ' 41' ' ' ARG . 1.6 t -96.37 139.46 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 1.7 p -131.04 17.12 5.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.99 -100.86 0.2 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -98.06 -33.21 11.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.559 ' OE2' ' CD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -105.12 167.44 9.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.52 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 8.2 ptt180 -163.72 159.97 22.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.7 t -106.55 179.62 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.27 139.53 13.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -148.37 108.28 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -53.75 128.2 28.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.559 HD22 ' CE1' ' A' ' 77' ' ' TYR . 10.2 tp -109.37 108.95 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 40.3 m -100.58 125.55 46.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.495 ' O ' ' CE ' ' A' ' 71' ' ' MET . 87.5 t -101.98 91.22 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.8 mmm-85 -64.36 104.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.67 131.1 25.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.931 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.781 0.324 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -115.77 145.44 42.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 96.6 m-85 -71.03 104.22 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 pt -72.22 -27.69 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -127.8 116.34 20.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.43 128.94 34.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 88' ' ' ALA . 30.7 m -47.91 163.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -103.18 148.51 25.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -40.42 147.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 27' ' ' VAL . 6.6 tp-100 -108.18 149.1 28.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -158.32 132.03 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -172.17 137.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -65.45 150.48 48.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -44.9 148.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.55 24.19 75.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.12 -175.43 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.8 m -126.1 105.09 8.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.06 160.35 24.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.093 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.437 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 17.6 t -143.87 116.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.445 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.1 mt -115.26 117.24 29.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -117.11 142.25 47.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -142.35 -175.17 4.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -146.89 154.55 41.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mt -131.86 151.81 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.436 ' C ' ' OD1' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -66.67 -24.69 66.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -150.23 145.17 26.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.06 118.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.472 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -161.4 149.61 12.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.553 0.692 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 177.16 5.88 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.4 m -152.09 163.02 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -133.53 85.79 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.503 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 97.7 m95 -57.33 116.93 3.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -103.78 -176.88 3.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.566 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 11.4 tmtt? -165.81 129.66 2.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.16 41.48 0.49 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t 75.04 48.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.332 . . . . 0.0 110.814 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -155.03 135.13 13.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.2 m -79.31 131.13 36.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.2 mt -99.62 166.72 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -145.13 154.21 42.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.45 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -75.28 135.39 40.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.87 -137.05 2.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -76.76 -58.66 3.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.9 mtt85 -71.59 -45.1 63.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -90.81 157.4 17.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -151.56 106.52 3.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.45 HD13 ' CB ' ' A' ' 49' ' ' ASP . 6.8 mp -99.6 101.68 12.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -108.41 116.49 32.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 36.7 tt0 -115.71 140.18 49.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -128.74 76.33 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.0 -88.8 1.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 39.2 p -109.8 -25.45 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 111.14 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -84.05 144.19 29.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 55.8 m -125.71 159.33 32.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -148.33 134.56 19.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.503 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 1.8 tm? -131.86 117.55 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -110.6 133.72 53.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.437 HD12 ' CE2' ' A' ' 77' ' ' TYR . 10.7 mt -115.53 100.47 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -84.18 124.36 31.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.83 44.37 2.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.3 mt -57.47 152.57 14.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -160.66 165.28 30.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.437 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 13.1 mmt -47.96 -50.72 26.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.4 -43.83 68.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.73 -27.82 43.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.4 m -55.37 108.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.03 -131.71 1.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -136.65 135.05 37.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.378 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.566 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 26.3 m-85 -114.79 138.2 51.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -128.93 123.92 33.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.491 ' SG ' ' CE2' ' A' ' 40' ' ' TRP . 3.2 t -96.53 100.12 11.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.423 ' HA ' ' CB ' ' A' ' 85' ' ' ARG . 2.4 t -88.11 140.21 16.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 24.3 p -112.53 -36.39 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 173.11 -58.67 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -106.17 -36.14 6.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -129.05 170.94 12.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.538 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -156.93 171.12 21.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 87' ' ' SER . 5.4 t -114.31 -178.4 3.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.419 ' N ' ' OG1' ' A' ' 86' ' ' THR . 1.3 p -156.43 141.6 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.445 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . . . -153.06 119.45 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 80.1 mmm -65.95 137.03 56.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tp -117.76 116.28 26.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 77.8 m -102.31 126.37 49.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.437 ' O ' ' CE ' ' A' ' 71' ' ' MET . 96.6 t -105.31 94.85 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -64.88 102.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.93 140.86 3.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.3 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.898 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.761 0.315 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.441 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 8.6 ptp180 -112.95 137.31 51.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.585 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 76.6 m-85 -66.15 99.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 13' ' ' GLU . 45.2 pt -65.63 -32.53 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.421 ' N ' HG13 ' A' ' 12' ' ' ILE . 4.5 mm-40 -124.94 133.64 52.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.08 127.85 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.443 HG23 ' CB ' ' A' ' 88' ' ' ALA . 23.7 m -47.68 159.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -94.62 155.25 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -52.89 123.77 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -79.65 134.63 36.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -150.88 116.17 5.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.3 140.32 19.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -65.55 149.23 50.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -45.72 145.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.18 31.86 61.02 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -123.5 -175.9 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.361 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.2 m -123.07 108.57 13.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.83 157.14 38.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.498 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 58.5 t -139.78 110.11 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.508 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 6.7 mt -107.05 108.73 20.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -113.33 146.1 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 p -145.26 -178.44 6.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -140.64 156.31 46.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 11' ' ' PHE . 11.4 mt -129.57 154.28 47.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.441 ' ND2' ' HG2' ' A' ' 10' ' ' ARG . 39.3 p-10 -71.37 -19.3 62.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.8 t -153.03 143.17 22.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.01 112.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -162.18 150.72 12.49 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.549 0.69 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 174.85 8.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.3 m -155.17 177.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -141.5 125.45 17.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.53 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 91.7 m95 -90.58 110.72 21.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -97.35 -174.99 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 43' ' ' GLY . 34.1 tttt -167.3 130.4 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 34.33 43.64 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m 73.88 49.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.867 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 42' ' ' LYS . 2.9 pt-20 -155.08 132.53 11.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.8 m -81.76 130.6 35.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.22 174.28 5.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -149.19 151.1 33.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.57 136.76 53.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -168.59 -129.79 1.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -83.0 -58.14 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -71.73 -44.67 63.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -93.99 140.26 29.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -134.42 98.38 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.853 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.472 ' CD2' HD21 ' A' ' 64' ' ' LEU . 7.1 mt -91.05 118.54 30.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 54' ' ' SER . 0.9 OUTLIER -122.99 129.31 51.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -123.55 142.27 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -133.82 75.28 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.12 -89.63 1.62 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.445 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.5 p -110.67 -24.4 10.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 0.0 111.099 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -85.91 145.05 27.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.7 m -121.87 173.7 7.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 64' ' ' LEU . 45.6 tt0 -158.31 154.36 26.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.53 ' HB2' ' CD1' ' A' ' 40' ' ' TRP . 0.4 OUTLIER -157.33 110.18 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -98.45 150.91 21.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.563 HD13 ' CE2' ' A' ' 77' ' ' TYR . 26.2 mt -126.81 100.92 6.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -84.35 123.53 30.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.99 47.72 1.32 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.527 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.2 mt -66.25 143.33 57.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -160.35 157.44 27.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 13.4 mmt -38.8 -39.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.77 -45.64 85.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' ALA . 0.7 OUTLIER -52.09 -34.43 43.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.9 m -47.42 107.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.48 -136.65 2.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -135.38 129.52 33.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.876 0.37 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.563 ' CE2' HD13 ' A' ' 66' ' ' ILE . 17.9 m-85 -113.61 137.94 50.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 m -131.51 125.1 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.4 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 t -96.61 102.08 13.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 t -90.72 133.53 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.585 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 23.1 p -107.71 -18.97 13.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.02 -68.89 0.31 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -94.87 -41.48 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 110.921 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -121.08 168.23 11.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.526 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 3.6 ptt85 -157.23 164.02 38.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.6 t -115.78 -175.63 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 p -159.39 147.17 17.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.443 ' CB ' HG23 ' A' ' 15' ' ' VAL . . . -153.02 109.84 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 72.0 mmm -61.16 114.65 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.514 HD23 ' CE1' ' A' ' 77' ' ' TYR . 6.0 tp -92.72 114.87 27.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.2 m -104.06 127.38 51.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.495 ' O ' ' CE ' ' A' ' 71' ' ' MET . 98.6 t -105.58 103.47 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -73.38 105.94 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -43.09 141.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.634 0.731 . . . . 0.0 110.92 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.793 0.33 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -128.93 132.85 47.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.602 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 92.5 m-85 -64.89 100.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 13' ' ' GLU . 44.6 pt -66.96 -33.06 60.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.436 ' N ' HG13 ' A' ' 12' ' ' ILE . 8.6 mm-40 -126.18 121.87 34.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -84.74 137.07 33.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 30' ' ' CYS . 12.0 m -58.39 156.2 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' ASN . 23.1 mmtp -97.0 147.43 24.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER -35.66 149.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.462 ' CG ' ' HB3' ' A' ' 26' ' ' ALA . 6.6 tp-100 -111.65 117.15 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.18 134.64 50.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -174.42 151.19 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.452 ' HD2' ' CD2' ' A' ' 95' ' ' LEU . 14.7 mtm180 -71.81 173.15 8.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.421 ' O ' ' CD1' ' A' ' 95' ' ' LEU . 12.9 mt-10 -67.12 159.65 28.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.55 16.66 51.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.413 ' C ' HD12 ' A' ' 69' ' ' LEU . . . -103.17 -175.1 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 111.117 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.7 m -125.79 106.75 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB3' ' CG ' ' A' ' 18' ' ' GLN . . . -70.34 158.26 36.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.449 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 21.4 t -140.97 116.32 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 mt -115.49 109.28 17.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -109.73 145.92 35.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.46 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 2.6 p -144.65 -177.46 5.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -143.56 159.04 43.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 mt -131.0 155.32 47.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.43 ' CA ' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -73.01 -20.14 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -151.02 144.36 24.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.46 112.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -162.17 152.88 14.61 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.58 0.705 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 173.98 10.21 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.324 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.2 m -153.17 179.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.469 ' CD ' ' N ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -146.21 125.53 13.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 89.0 m95 -91.9 112.09 23.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.444 ' HD2' ' CG2' ' A' ' 80' ' ' VAL . 47.7 mtt180 -100.08 -175.69 3.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.519 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 19.9 tttt -170.55 119.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 45.46 43.8 10.74 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.471 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.2 t 71.57 45.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.887 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -148.02 133.48 18.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.408 HG21 ' CD ' ' A' ' 39' ' ' GLU . 86.8 m -86.19 123.73 31.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.406 ' C ' ' HG2' ' A' ' 48' ' ' ARG . 6.1 mt -97.49 169.41 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.406 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 13.9 mmm180 -147.24 147.91 30.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.9 135.64 57.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -168.21 -128.85 1.03 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -83.59 -56.56 3.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.747 0.308 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -74.98 -44.82 46.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -91.29 139.75 30.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.95 97.93 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.47 HD22 ' CD2' ' A' ' 64' ' ' LEU . 5.7 mt -94.76 123.96 38.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -130.33 122.23 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.411 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 45.0 tt0 -115.4 139.81 49.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -130.14 74.03 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.09 -90.58 1.65 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.2 p -110.44 -21.59 12.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 111.163 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -86.79 154.17 21.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 38.3 m -133.92 168.64 18.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -160.95 136.65 8.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.518 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 0.4 OUTLIER -136.41 115.26 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -101.43 141.82 33.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.565 HD12 ' CE2' ' A' ' 77' ' ' TYR . 54.0 mt -117.57 100.08 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -85.53 120.9 27.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.27 47.8 1.04 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 24' ' ' ALA . 37.2 mt -63.16 151.6 39.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.346 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -162.21 145.73 11.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.427 ' SD ' ' CB ' ' A' ' 94' ' ' ALA . 60.2 mmm -38.73 -31.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.28 -41.54 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' ALA . 75.0 m-20 -54.76 -22.59 14.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.3 m -53.2 104.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.54 -135.34 1.9 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -139.13 131.47 28.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.565 ' CE2' HD12 ' A' ' 66' ' ' ILE . 12.2 m-85 -114.86 144.21 43.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -135.54 129.19 32.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.852 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.602 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 1.9 t -98.72 101.3 12.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.444 ' CG2' ' HD2' ' A' ' 41' ' ' ARG . 2.1 t -88.06 147.95 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 10.6 p -133.16 15.21 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.81 -82.01 0.31 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -99.87 -45.39 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.317 . . . . 0.0 110.933 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -100.68 166.66 10.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.569 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 9.5 ptt180 -164.04 153.82 14.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.809 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.9 t -106.61 177.77 4.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 p -158.94 147.11 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.452 ' CB ' HG22 ' A' ' 15' ' ' VAL . . . -156.53 109.68 2.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.069 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 77.3 mmm -50.73 140.8 14.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.472 HD23 ' CE1' ' A' ' 77' ' ' TYR . 12.3 tp -119.2 109.17 15.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.8 m -98.61 127.54 44.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.6 t -108.83 105.97 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -77.9 111.51 13.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.427 ' CB ' ' SD ' ' A' ' 71' ' ' MET . . . -50.64 138.86 17.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.075 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.452 ' CD2' ' HD2' ' A' ' 21' ' ' ARG . 22.3 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.561 0.696 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.817 0.341 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -104.26 159.48 15.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.572 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 82.5 m-85 -83.24 99.6 10.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.1 pt -67.51 -32.07 55.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -121.44 129.56 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.18 131.94 37.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 88' ' ' ALA . 32.8 m -55.83 161.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -102.27 148.37 25.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.51 146.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 27' ' ' VAL . 6.9 tp-100 -108.65 143.39 37.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -159.3 125.92 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.7 145.56 17.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -67.19 149.78 49.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -45.5 152.26 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.48 29.15 72.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.439 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.15 -179.16 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.9 m -123.61 108.31 12.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.428 ' C ' HG21 ' A' ' 27' ' ' VAL . . . -64.41 163.63 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.035 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.473 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 98.3 t -144.98 115.67 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 9.5 mt -114.7 113.83 24.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.453 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 78.6 mt-30 -113.92 143.73 44.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.445 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 8.1 p -145.01 -178.97 6.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -139.54 154.87 47.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.451 HD21 ' CD1' ' A' ' 11' ' ' PHE . 11.0 mt -129.88 150.99 50.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -63.17 -24.89 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 t -154.28 140.99 19.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -38.75 118.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.483 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -163.12 151.23 11.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.603 0.716 . . . . 0.0 111.071 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 178.68 4.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.3 m -154.44 163.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.403 ' CD ' HG21 ' A' ' 46' ' ' THR . 30.0 tt0 -134.84 90.18 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.561 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 95.5 m95 -61.06 112.34 2.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.401 ' CD ' HG21 ' A' ' 80' ' ' VAL . 75.9 mtt180 -101.55 -178.07 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.554 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 5.4 tttm -167.63 133.07 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 32.36 52.55 0.42 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.2 m 63.65 51.43 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -156.15 135.45 12.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.403 HG21 ' CD ' ' A' ' 39' ' ' GLU . 99.2 m -85.19 131.83 34.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 mt -99.81 162.83 12.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -142.01 153.03 43.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.477 ' CA ' HD11 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -72.42 141.18 48.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.46 -142.48 3.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -75.42 -52.24 11.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -78.2 -42.3 31.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -94.39 156.94 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -149.65 105.0 3.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.477 HD11 ' CA ' ' A' ' 49' ' ' ASP . 7.5 mp -102.17 98.19 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -98.83 176.79 5.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 40.0 tt0 -171.31 140.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -131.04 77.12 1.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.32 -91.65 1.71 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.3 p -108.13 -24.57 11.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.821 0.343 . . . . 0.0 111.162 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -83.6 155.24 23.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 50.8 m -129.2 175.42 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -162.06 137.26 7.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.516 ' HB2' ' CD1' ' A' ' 40' ' ' TRP . 1.5 tm? -137.67 119.4 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.464 ' N ' HD21 ' A' ' 64' ' ' LEU . 33.2 mt-30 -110.87 138.88 46.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.533 HD11 ' CE2' ' A' ' 77' ' ' TYR . 15.6 mt -118.95 96.12 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -78.91 126.57 30.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.56 48.36 1.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.531 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 mt -64.99 148.19 52.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.8 161.47 26.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.6 mmt -42.05 -39.64 2.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.39 -45.86 82.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -34.01 46.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.7 m -48.83 105.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.07 -146.23 4.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -126.99 130.57 50.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.554 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 21.2 m-85 -113.89 140.69 48.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.7 m -131.9 117.3 18.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.1 t -86.95 104.79 16.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.401 HG21 ' CD ' ' A' ' 41' ' ' ARG . 2.6 t -95.38 129.67 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.572 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 21.1 p -101.99 -23.86 14.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 160.31 -65.87 0.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.448 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -97.88 -40.19 8.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 110.935 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.422 ' N ' ' CD ' ' A' ' 84' ' ' GLU . 1.2 pm0 -123.71 171.91 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -160.41 168.76 24.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.2 t -116.59 -175.36 2.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.0 p -159.44 148.39 18.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.465 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . . . -158.97 110.57 2.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 72.4 mmm -57.04 133.89 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.6 tp -114.31 117.35 30.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.0 m -103.87 128.03 51.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.7 t -105.64 89.98 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -60.52 110.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.42 127.44 32.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.9 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.635 0.731 . . . . 0.0 110.924 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.819 0.342 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.505 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 20.1 ptt180 -113.28 146.51 39.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.58 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 86.4 m-85 -76.92 93.52 3.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.455 ' CG2' ' HB3' ' A' ' 33' ' ' ASN . 42.4 pt -64.91 -31.14 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.406 ' N ' HG13 ' A' ' 12' ' ' ILE . 26.5 mt-10 -124.73 120.99 33.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.64 132.69 34.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 88' ' ' ALA . 24.9 m -51.31 160.02 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -98.07 148.22 23.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -43.62 139.49 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 27' ' ' VAL . 6.8 tp-100 -99.16 144.61 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -157.74 130.18 7.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.31 137.98 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 ptt-85 -62.16 152.17 33.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.07 152.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.56 28.3 73.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.405 ' C ' HD13 ' A' ' 69' ' ' LEU . . . -116.76 -174.9 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.0 m -127.03 107.47 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.9 157.07 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.441 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 31.6 t -140.26 117.62 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.2 mt -113.64 118.93 35.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -119.86 140.99 49.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.7 p -142.22 -179.06 6.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -143.47 159.46 42.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.515 HD23 ' CD1' ' A' ' 11' ' ' PHE . 8.3 mt -134.1 146.3 50.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.505 ' ND2' ' H ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -67.51 -15.12 63.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.3 p -149.42 137.91 20.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.74 113.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -161.76 153.77 16.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.649 0.738 . . . . 0.0 111.095 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 53.7 Cg_endo -69.71 174.16 9.88 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.402 ' CG1' ' O ' ' A' ' 37' ' ' PRO . 32.3 m -157.36 176.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -142.71 128.57 19.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 95.3 m95 -92.52 111.12 22.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.455 ' HD2' ' CG2' ' A' ' 80' ' ' VAL . 56.9 mtt180 -97.8 -179.64 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.568 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 6.2 tmtt? -162.62 135.09 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 34.35 40.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.5 t 74.95 47.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.353 . . . . 0.0 110.835 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 42' ' ' LYS . 2.8 pt-20 -150.61 149.97 30.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.9 m -92.28 124.22 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.9 mt -91.26 165.67 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -141.64 145.68 35.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.479 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -69.63 136.6 51.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.13 -142.5 3.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -72.83 -56.17 5.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -74.1 -45.4 49.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -92.89 154.3 18.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.9 m -147.97 105.02 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.479 HD13 ' CA ' ' A' ' 49' ' ' ASP . 7.6 mp -99.81 103.63 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.8 mtp-105 -108.2 171.9 7.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -172.34 143.91 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -134.65 82.01 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.6 -91.43 1.56 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.2 p -108.86 -24.33 11.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 111.115 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -81.91 152.65 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.6 m -129.79 170.47 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -159.83 137.17 9.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 40' ' ' TRP . 1.2 tm? -142.8 123.56 14.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.472 ' N ' HD22 ' A' ' 64' ' ' LEU . 24.9 mt-30 -114.11 151.76 32.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.551 HD13 ' CE2' ' A' ' 77' ' ' TYR . 20.4 mt -128.76 92.8 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 -77.47 126.55 31.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.64 42.69 2.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 24' ' ' ALA . 44.8 mt -58.7 149.01 27.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.945 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -161.66 159.45 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.6 mmt -39.67 -50.27 2.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.96 -48.04 70.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.44 -38.65 13.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.0 m -46.15 107.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.7 -125.0 0.74 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -145.43 131.01 18.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 38.4 m-85 -115.97 136.32 53.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 86' ' ' THR . 3.5 m -129.97 127.78 40.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.6 t -99.57 103.27 14.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.455 ' CG2' ' HD2' ' A' ' 41' ' ' ARG . 2.1 t -87.57 151.76 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.58 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 25.1 p -127.15 -40.38 1.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -177.48 -69.45 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -102.89 -37.74 7.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -119.4 162.55 18.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.537 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 20.7 ptt-85 -149.77 162.17 40.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 78' ' ' SER . 6.0 t -112.2 167.54 10.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 p -146.34 151.2 37.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.456 ' HB3' ' CG2' ' A' ' 15' ' ' VAL . . . -159.2 111.45 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 81.0 mmm -58.83 134.79 57.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.525 HD23 ' CE1' ' A' ' 77' ' ' TYR . 10.9 tp -114.52 117.59 31.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.5 m -104.82 125.19 50.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.2 t -104.24 93.01 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -62.81 107.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.16 135.44 25.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.8 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 121.549 0.69 . . . . 0.0 110.916 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.816 0.341 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.5 ptt85 -117.99 139.02 51.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 75.9 m-85 -65.45 105.24 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' A' ' 33' ' ' ASN . 35.8 pt -71.05 -31.72 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.422 ' N ' HG13 ' A' ' 12' ' ' ILE . 25.7 mm-40 -129.5 128.7 43.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.64 133.39 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 88' ' ' ALA . 31.0 m -54.69 162.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -99.45 149.24 23.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -45.83 134.04 8.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -90.31 138.07 31.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -151.38 130.67 12.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.8 154.47 9.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -76.51 146.96 38.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -44.58 139.85 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.71 30.55 35.56 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.83 -175.27 2.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.823 0.344 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.2 m -123.9 100.21 6.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.429 ' C ' HG22 ' A' ' 27' ' ' VAL . . . -56.55 156.32 6.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.429 HG22 ' C ' ' A' ' 26' ' ' ALA . 81.7 t -144.93 108.46 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.0 mt -108.4 115.17 29.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -113.44 145.0 41.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.411 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 6.1 p -146.12 -177.23 5.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -145.82 149.26 33.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mt -121.99 154.99 36.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.433 ' HB3' ' CG2' ' A' ' 12' ' ' ILE . 27.1 p-10 -69.47 -22.31 63.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.8 t -151.98 150.67 30.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.36 114.89 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.71 151.39 10.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 172.01 13.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.8 m -151.85 173.98 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.482 ' CD ' ' N ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -141.4 126.15 18.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.522 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 95.9 m95 -93.89 110.51 22.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.409 ' HD2' ' CG2' ' A' ' 80' ' ' VAL . 29.2 mtt-85 -100.75 -175.83 3.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.507 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 7.3 tttm -169.63 128.17 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 40.21 49.25 3.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m 64.65 52.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -157.25 139.05 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -87.39 127.57 35.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 mt -93.73 162.72 13.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -137.89 143.83 41.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -67.74 128.1 35.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.86 -143.15 3.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -72.55 -50.76 23.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -80.12 -40.52 27.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -96.03 147.89 23.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -141.76 105.02 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.474 HD13 ' CA ' ' A' ' 49' ' ' ASP . 7.5 mp -101.92 100.6 10.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -105.09 175.63 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -169.29 142.68 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -131.69 75.9 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.61 -88.02 1.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 p -111.32 -24.98 9.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.145 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -83.93 148.97 26.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.9 m -124.29 172.19 9.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -162.83 130.35 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.522 ' HB2' ' CD1' ' A' ' 40' ' ' TRP . 1.4 tm? -131.59 118.51 20.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.455 ' N ' HD22 ' A' ' 64' ' ' LEU . 21.1 mt-30 -106.73 140.41 39.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.412 HD11 ' CE2' ' A' ' 77' ' ' TYR . 18.2 mt -122.37 106.95 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -83.33 138.21 33.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.21 46.6 4.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 26' ' ' ALA . 42.4 mt -64.19 105.2 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -123.46 171.92 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.112 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.479 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 10.4 mmt -53.53 -33.04 53.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.14 -42.4 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -31.52 69.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.9 m -49.08 102.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.501 ' O ' ' CE ' ' A' ' 89' ' ' MET . . . -159.8 -157.14 8.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -115.54 124.02 49.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.558 ' CE1' HD22 ' A' ' 90' ' ' LEU . 8.8 m-85 -108.07 142.86 37.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -133.17 125.64 29.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.4 t -95.39 107.04 19.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.409 ' CG2' ' HD2' ' A' ' 41' ' ' ARG . 2.0 t -94.96 134.99 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.099 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 25.2 p -119.27 24.51 10.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 128.31 -77.57 0.39 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -107.65 -44.2 4.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -100.94 170.64 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.572 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -166.01 165.33 18.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 87' ' ' SER . 7.8 t -113.39 -175.45 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.414 ' N ' ' OG1' ' A' ' 86' ' ' THR . 1.4 p -158.19 146.32 18.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.443 ' HB3' ' CG2' ' A' ' 15' ' ' VAL . . . -154.82 106.37 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.087 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.501 ' CE ' ' O ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -54.87 122.23 10.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.558 HD22 ' CE1' ' A' ' 77' ' ' TYR . 9.5 tp -102.42 112.84 25.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.8 m -105.35 125.2 50.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.479 ' O ' ' CE ' ' A' ' 71' ' ' MET . 99.0 t -104.04 96.02 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -62.97 110.92 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.66 126.26 26.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.7 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.62 0.724 . . . . 0.0 110.879 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.736 0.303 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -114.45 141.82 47.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 87.0 m-85 -72.54 96.77 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.41 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 45.7 pt -65.35 -32.03 56.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -128.08 116.39 19.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -80.97 134.02 35.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 30' ' ' CYS . 26.0 m -53.24 160.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -101.9 146.51 27.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -40.13 140.87 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -98.32 146.81 25.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -159.16 126.17 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.26 147.32 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.3 mtt-85 -72.67 148.73 44.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -43.86 144.57 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.85 30.15 56.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -123.19 -179.72 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -123.59 106.4 10.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.89 159.68 10.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.7 t -144.73 106.9 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.1 mt -104.21 114.66 29.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -114.65 137.92 51.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.454 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 2.3 p -140.4 178.14 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -141.41 148.99 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.4 HD21 ' CD1' ' A' ' 11' ' ' PHE . 12.6 mt -120.9 154.26 36.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -71.07 -20.16 62.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.6 t -153.11 146.75 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.46 115.51 1.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.68 148.92 9.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 175.84 7.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.262 . . . . 0.0 112.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -151.2 -179.33 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -157.06 105.85 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 76.1 m95 -74.44 131.16 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.454 ' HD2' ' CG2' ' A' ' 80' ' ' VAL . 35.2 mtt-85 -116.88 178.8 4.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.574 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 9.1 tttp -156.75 105.03 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.8 61.7 5.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.3 m 63.33 48.16 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 2.8 pt-20 -153.38 133.31 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.8 m -89.14 129.36 35.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 mt -100.69 161.05 13.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -140.81 151.02 44.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.428 ' CB ' HD11 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -70.26 139.83 52.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.07 -128.34 1.02 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.442 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.69 -69.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.6 mtm-85 -70.27 -35.72 73.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -93.89 150.31 20.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.99 109.78 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.459 ' N ' HD11 ' A' ' 55' ' ' LEU . 6.7 mp -105.89 107.54 18.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -116.61 131.14 57.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -127.54 148.0 50.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -133.59 77.99 1.75 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.48 -85.31 1.42 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.464 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.3 p -114.25 -21.74 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 111.163 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -87.07 145.77 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.8 m -124.71 169.57 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -160.34 130.29 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.454 ' HB2' ' CD1' ' A' ' 40' ' ' TRP . 1.2 tm? -131.98 117.53 18.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.448 ' N ' HD23 ' A' ' 64' ' ' LEU . 18.1 mt-30 -106.32 147.08 29.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.534 HD13 ' CE2' ' A' ' 77' ' ' TYR . 18.7 mt -127.22 98.52 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -78.67 132.28 36.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.03 47.18 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.9 mt -66.46 131.52 46.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.56 168.98 22.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.461 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 12.9 mmt -49.1 -31.65 8.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.26 -44.62 59.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.2 -32.68 49.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.3 m -51.04 113.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.44 -134.13 1.62 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -141.31 120.43 12.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.345 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.574 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 54.6 m-85 -104.05 150.24 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 m -139.7 125.94 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.1 t -94.92 100.28 12.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.454 ' CG2' ' HD2' ' A' ' 41' ' ' ARG . 2.2 t -88.28 145.8 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 15.5 p -132.05 15.73 4.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 131.31 -79.25 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -103.08 -45.36 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -100.58 163.51 12.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.41 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 7.6 ptp180 -162.38 154.06 18.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 87' ' ' SER . 5.7 t -108.96 -176.18 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.438 ' N ' ' OG1' ' A' ' 86' ' ' THR . 2.7 p -160.29 152.85 20.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.72 105.97 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.9 mmm -54.9 127.07 27.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.4 tp -106.49 115.37 30.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.6 m -102.38 125.36 49.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.461 ' O ' ' CE ' ' A' ' 71' ' ' MET . 99.8 t -105.33 95.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -67.6 112.87 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.18 141.64 28.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 48.0 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.579 0.704 . . . . 0.0 110.921 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.786 0.327 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -105.8 132.16 52.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 97.3 m-85 -62.84 103.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.2 pt -72.36 -29.74 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.142 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -124.66 118.04 25.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.71 135.03 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.403 ' CG2' ' HB1' ' A' ' 88' ' ' ALA . 30.4 m -54.71 162.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -101.02 152.77 20.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -46.79 148.82 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 27' ' ' VAL . 6.5 tp-100 -111.04 135.93 50.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -150.58 122.17 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.31 148.52 20.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 mtt85 -70.43 143.92 51.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -39.72 154.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.04 22.72 74.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.09 -177.79 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.883 0.373 . . . . 0.0 111.072 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 m -123.33 108.85 13.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.84 154.97 40.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.074 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.467 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 92.4 t -137.88 120.89 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 mt -114.69 111.79 21.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -114.51 142.98 45.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 p -144.5 -178.8 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -140.5 155.29 46.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.52 HD21 ' CD1' ' A' ' 11' ' ' PHE . 8.0 mt -131.24 148.34 52.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -14.9 62.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -161.52 146.08 13.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.42 118.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.468 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -159.99 149.86 14.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.566 0.698 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 176.86 6.17 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.368 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.1 m -151.51 161.03 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.425 ' CG ' HG23 ' A' ' 46' ' ' THR . 38.4 tt0 -132.13 80.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 99.4 m95 -49.81 111.66 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -99.59 -174.58 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.561 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 8.8 tmtt? -170.97 128.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.95 40.96 0.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m 75.01 45.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 42' ' ' LYS . 2.8 pt-20 -152.0 132.11 13.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.425 HG23 ' CG ' ' A' ' 39' ' ' GLU . 26.8 m -77.49 131.63 38.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.3 mt -105.09 168.81 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -147.24 149.67 33.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.78 137.11 56.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.45 -118.93 0.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.32 -62.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -70.14 -24.93 63.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -114.57 141.31 47.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.62 100.11 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.469 HD21 ' CD2' ' A' ' 64' ' ' LEU . 8.0 mt -98.28 121.53 40.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -130.11 119.28 22.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 42.0 tt0 -110.88 144.31 40.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -133.4 74.12 1.55 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.41 -86.4 1.46 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.7 p -113.77 -23.66 9.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.857 0.361 . . . . 0.0 111.128 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -85.97 143.77 27.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 61.0 m -121.25 169.04 10.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -161.55 132.46 5.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 0.3 OUTLIER -136.65 116.73 13.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -103.23 145.65 29.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.417 HD11 ' CE2' ' A' ' 77' ' ' TYR . 21.0 mt -123.27 121.19 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -100.93 119.42 38.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.52 42.89 1.1 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.9 mt -61.31 111.72 1.87 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -134.91 159.09 42.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.46 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 11.3 mmt -38.76 -31.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.59 67.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 70' ' ' ALA . 9.4 m-20 -54.33 -35.19 62.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.7 m -47.0 104.44 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.95 -130.77 1.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.492 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -146.9 112.53 5.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.561 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 10.5 m-85 -95.98 145.22 25.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 m -135.01 126.34 28.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 t -95.71 100.46 12.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.439 ' HA ' ' CB ' ' A' ' 85' ' ' ARG . 2.1 t -93.32 138.15 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -110.1 -52.81 2.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.23 -65.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -112.22 -33.12 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -116.08 173.97 6.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.565 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -166.54 172.05 11.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 87' ' ' SER . 7.1 t -118.38 -177.35 3.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.406 ' N ' ' OG1' ' A' ' 86' ' ' THR . 0.6 OUTLIER -161.36 145.41 13.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.403 ' HB1' ' CG2' ' A' ' 15' ' ' VAL . . . -151.1 105.03 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.055 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.7 tpp -52.68 127.74 24.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.3 tp -108.09 109.76 21.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.8 m -96.32 124.24 40.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.46 ' O ' ' CE ' ' A' ' 71' ' ' MET . 86.0 t -103.38 95.48 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 -68.36 111.3 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.19 122.66 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.4 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.619 0.723 . . . . 0.0 110.922 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.78 0.324 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.468 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 16.6 ptt180 -118.44 141.31 48.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 92.3 m-85 -69.11 102.82 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.9 pt -71.26 -28.83 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -131.13 123.68 29.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -84.16 129.06 34.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 88' ' ' ALA . 32.8 m -47.0 159.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -94.79 155.51 16.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -50.96 127.42 18.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.509 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -87.96 136.14 33.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -154.92 125.56 6.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -156.14 153.74 29.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -75.97 147.28 38.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -48.26 133.2 15.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.18 28.87 16.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.438 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -127.28 -179.79 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 111.066 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.5 m -121.75 105.31 10.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.1 159.27 23.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.509 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 93.0 t -140.71 105.9 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.519 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 6.9 mt -100.75 113.13 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -114.3 144.03 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.0 p -140.61 -178.98 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -139.0 146.91 41.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.1 mt -122.81 153.3 39.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.468 ' ND2' ' HG2' ' A' ' 10' ' ' ARG . 24.5 p-10 -67.57 -24.05 65.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -152.81 151.96 31.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.94 115.72 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.409 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -164.63 153.13 10.97 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.579 0.705 . . . . 0.0 111.099 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 173.26 11.18 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.358 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 m -155.38 171.88 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.499 ' CD ' ' N ' ' A' ' 40' ' ' TRP . 1.6 tm-20 -138.82 130.53 27.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.519 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 92.5 m95 -97.29 110.27 22.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.419 ' CG ' ' OE1' ' A' ' 39' ' ' GLU . 63.2 mtm180 -94.22 -174.26 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.547 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 16.4 tttt -167.26 125.69 1.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 37.74 42.75 1.1 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 t 74.96 46.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -152.33 133.05 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.413 HG21 ' CG ' ' A' ' 39' ' ' GLU . 81.0 m -81.94 120.31 25.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.3 mt -88.51 163.63 15.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -136.68 146.71 46.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.471 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -69.24 129.56 40.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.02 -139.61 2.71 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.95 -55.29 6.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -75.33 -42.56 54.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -94.62 149.98 20.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -145.95 105.06 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 49' ' ' ASP . 5.8 mp -98.54 105.03 17.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -105.92 178.84 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 43.7 tt0 -175.04 143.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -133.82 72.78 1.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.52 -91.73 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 p -108.32 -23.75 11.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.821 0.343 . . . . 0.0 111.115 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -84.41 149.41 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 35.7 m -123.87 172.53 8.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -162.64 138.27 7.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.509 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 1.2 tm? -140.55 116.2 10.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.436 ' N ' HD21 ' A' ' 64' ' ' LEU . 20.0 mt-30 -101.05 143.4 31.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.569 HD12 ' CE2' ' A' ' 77' ' ' TYR . 32.4 mt -122.56 95.89 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.2 mtp85 -75.89 122.92 24.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.24 56.83 0.82 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.0 mt -73.78 114.94 12.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.338 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.84 162.28 33.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.8 mmt -42.04 -41.32 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.59 98.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.4 -29.34 64.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.9 m -52.74 104.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.58 -137.98 2.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -133.95 132.34 40.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.569 ' CE2' HD12 ' A' ' 66' ' ' ILE . 16.3 m-85 -115.6 140.52 49.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.4 m -133.27 125.89 30.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 9.1 t -95.04 113.08 24.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 t -101.63 132.93 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 19.4 p -121.0 28.4 7.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.93 -82.7 0.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -103.04 -48.0 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 110.931 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -93.23 168.94 10.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.569 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 2.9 ptp180 -167.44 159.49 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.7 t -111.37 -178.74 3.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.1 147.39 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.456 ' HB3' ' CG2' ' A' ' 15' ' ' VAL . . . -162.39 110.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.074 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.22 127.79 33.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.8 tp -100.95 113.77 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 35.2 m -98.94 124.03 43.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.3 t -105.15 88.49 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -57.29 108.52 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.78 129.03 40.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.903 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' A' ' 36' ' ' ALA . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.781 0.324 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 ptt-85 -115.14 127.06 55.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.556 ' CD1' HD21 ' A' ' 32' ' ' LEU . 89.7 m-85 -57.63 101.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.406 HG13 ' N ' ' A' ' 13' ' ' GLU . 46.3 pt -68.78 -31.7 51.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.406 ' N ' HG13 ' A' ' 12' ' ' ILE . 4.5 mm-40 -125.68 132.53 52.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.59 125.99 39.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.471 HG21 ' CB ' ' A' ' 88' ' ' ALA . 19.3 m -44.77 159.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -97.76 148.78 23.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -42.87 157.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.411 ' HB3' ' CD1' ' A' ' 90' ' ' LEU . 5.6 tp-100 -116.86 115.6 25.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -124.85 103.99 8.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.21 153.33 43.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.043 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -86.27 156.49 20.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -52.21 133.12 34.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.03 27.54 15.99 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -125.37 179.84 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.8 m -120.03 105.63 11.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.122 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.35 154.98 33.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.6 t -139.95 114.57 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.508 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 11.6 mt -114.73 114.21 25.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -116.72 142.79 46.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 3.3 p -140.63 171.74 13.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -132.32 154.54 49.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.556 HD21 ' CD1' ' A' ' 11' ' ' PHE . 9.1 mt -131.09 148.48 52.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -20.42 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.3 t -156.58 141.53 17.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -39.44 109.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 9' ' ' ALA . . . -149.07 149.74 30.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 111.089 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 176.37 6.81 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.736 2.291 . . . . 0.0 112.343 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 m -154.72 159.58 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -135.04 85.65 2.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.572 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 97.5 m95 -53.03 118.76 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -106.92 -178.84 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.553 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 5.9 tmtt? -167.03 131.32 1.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.95 52.3 0.67 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m 64.67 52.76 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 110.834 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 42' ' ' LYS . 3.3 pt-20 -158.28 154.96 28.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.8 m -96.34 134.59 39.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.128 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.3 mt -100.22 163.52 12.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.9 mmm-85 -147.19 159.76 43.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -80.37 147.09 31.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.9 -131.76 1.37 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.498 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -88.36 -44.66 10.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -87.77 -38.1 16.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -92.72 158.54 15.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -151.01 105.07 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.805 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.474 HD13 ' CA ' ' A' ' 49' ' ' ASP . 6.6 mp -103.31 103.48 13.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -110.5 174.83 5.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -170.34 137.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -123.02 75.19 1.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.01 -85.46 1.57 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 54.8 p -111.87 -23.68 10.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.379 . . . . 0.0 111.155 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -85.39 141.22 30.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.0 m -117.44 172.07 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -160.61 136.87 8.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 40' ' ' TRP . 1.2 tm? -140.09 112.95 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -103.28 142.6 33.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.547 HD12 ' CE2' ' A' ' 77' ' ' TYR . 18.2 mt -123.26 97.51 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -78.74 131.6 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.44 50.97 2.63 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.1 mt -62.78 149.36 44.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -158.26 170.93 21.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.0 mmt -53.45 -51.12 63.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.93 -44.7 50.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -55.23 -27.45 46.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.6 m -55.71 102.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.87 -128.33 0.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -138.91 129.02 25.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.566 ' CE1' HD21 ' A' ' 90' ' ' LEU . 27.5 m-85 -112.36 137.24 50.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 m -134.68 130.92 37.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 t -99.88 109.16 21.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 t -98.36 138.58 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.4 -43.54 3.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.42 -64.06 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -106.14 -39.09 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.907 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -115.84 169.55 9.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.55 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 8.8 ptp180 -160.22 166.84 28.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 87' ' ' SER . 5.4 t -114.96 -178.0 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.164 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.424 ' N ' ' OG1' ' A' ' 86' ' ' THR . 0.9 OUTLIER -156.65 148.11 22.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.471 ' CB ' HG21 ' A' ' 15' ' ' VAL . . . -160.2 106.88 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.7 tpp -56.97 137.96 54.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.566 HD21 ' CE1' ' A' ' 77' ' ' TYR . 6.9 tp -114.27 103.13 10.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.2 m -90.36 117.37 29.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.75 86.79 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -58.62 104.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.89 139.39 17.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.8 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.581 0.705 . . . . 0.0 110.951 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.818 0.342 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 -120.93 136.67 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.593 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 92.3 m-85 -63.65 101.24 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.438 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 45.9 pt -70.63 -31.37 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -124.93 117.17 23.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.42 136.89 35.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 30' ' ' CYS . 22.3 m -56.47 165.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -106.73 150.91 25.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -42.53 152.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.435 ' CG ' HD13 ' A' ' 90' ' ' LEU . 5.8 tp-100 -114.33 113.73 24.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -123.88 103.05 8.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.7 149.47 47.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -77.05 154.35 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -53.09 140.76 24.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.03 28.85 39.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -125.41 -175.6 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 111.072 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.5 m -123.78 107.43 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.35 168.67 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.416 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 24.0 t -149.92 112.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.179 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mt -112.51 108.49 17.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -110.99 139.61 46.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.438 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 8.0 p -142.34 168.6 19.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -130.29 153.43 48.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.43 HD23 ' CD1' ' A' ' 11' ' ' PHE . 12.0 mt -123.91 153.26 41.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.438 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -68.61 -20.8 64.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 t -156.6 145.73 20.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.83 117.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.424 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -164.95 151.45 9.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 175.76 7.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m -151.3 171.39 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -146.56 106.21 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.517 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 86.8 m95 -73.74 120.97 20.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -112.4 -178.82 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.575 ' HD2' ' CE1' ' A' ' 77' ' ' TYR . 13.1 tttp -162.22 128.82 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 32.61 55.48 0.47 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.45 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m 64.53 52.7 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -154.99 138.3 15.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.0 m -89.66 129.56 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.7 mt -100.32 171.74 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 4.9 mmm180 -152.82 146.75 25.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.15 137.18 57.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.75 -128.07 0.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.14 -55.81 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.9 mtm-85 -75.29 -44.5 45.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -92.17 139.94 30.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.7 97.63 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.821 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.466 HD21 ' CD2' ' A' ' 64' ' ' LEU . 4.6 mt -94.47 121.69 36.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -129.79 117.94 21.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 33.0 tt0 -112.39 142.55 44.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -134.58 76.07 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.18 -90.72 1.57 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.436 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.4 p -110.57 -22.94 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -86.65 148.1 25.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 64.9 m -129.23 170.3 13.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -162.49 134.06 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.517 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 0.4 OUTLIER -135.83 110.45 8.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -96.7 147.57 23.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.422 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 42.7 mt -125.72 100.92 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -85.7 123.37 31.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.35 47.18 1.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.9 mt -65.16 142.72 58.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.754 0.311 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.24 158.06 23.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.9 mmt -42.44 -31.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.61 -44.78 61.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.41 -32.9 51.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.2 m -47.08 117.12 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -168.15 -138.49 2.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -137.19 118.56 14.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.354 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.575 ' CE1' ' HD2' ' A' ' 42' ' ' LYS . 86.3 m-85 -100.2 139.3 36.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -132.62 121.11 22.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.0 t -93.61 104.68 16.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.0 t -93.38 135.11 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.593 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 19.2 p -107.55 -39.69 5.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 179.05 -64.31 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -103.28 -39.52 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -118.63 170.21 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.553 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 3.6 ptt-85 -158.27 166.03 33.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.5 t -116.64 -176.86 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.06 149.34 21.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -159.29 105.06 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.9 tpp -56.94 129.38 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.435 HD13 ' CG ' ' A' ' 18' ' ' GLN . 9.4 tp -104.97 100.41 10.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 48.7 m -88.01 111.51 21.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 81.6 t -88.07 89.18 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -56.32 110.87 0.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.66 135.09 57.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.4 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.6 0.714 . . . . 0.0 110.938 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.766 0.317 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -114.14 134.38 54.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 59.0 m-85 -61.55 93.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 46.4 pt -60.58 -27.6 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -129.85 137.14 50.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.0 126.8 50.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.0 m -47.9 166.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -176.04 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -69.46 137.46 52.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -100.81 131.0 46.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -141.98 130.36 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -162.96 144.92 10.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -73.03 144.29 47.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.412 ' O ' ' CD1' ' A' ' 95' ' ' LEU . 34.7 mt-10 -40.55 139.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.23 25.63 50.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.7 -177.09 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.4 m -125.83 101.57 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.88 160.87 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.3 t -145.64 107.02 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.7 mt -104.55 117.02 33.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -113.71 142.16 46.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 p -146.81 177.19 9.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -135.95 159.45 41.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.7 mt -127.44 152.99 46.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.463 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -73.41 -1.99 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -174.45 150.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.07 113.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.461 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -167.72 150.2 5.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 176.51 6.71 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.1 m -155.95 -176.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -151.54 125.64 9.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.563 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 89.7 m95 -90.27 115.51 27.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -101.57 -173.9 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.523 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 3.4 tttm -170.28 126.0 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.77 54.09 1.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.49 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m 64.26 49.87 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' CD ' ' HB3' ' A' ' 42' ' ' LYS . 2.1 pt-20 -152.02 139.09 19.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.4 m -92.38 120.39 32.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.7 mt -88.12 164.96 15.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -143.01 150.05 39.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.469 ' CA ' HD12 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -69.84 128.03 34.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -158.15 -143.0 3.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -73.66 -51.17 17.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -81.1 -40.91 23.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -95.44 151.45 19.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.19 105.44 3.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.469 HD12 ' CA ' ' A' ' 49' ' ' ASP . 6.6 mp -102.48 102.71 13.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -108.04 175.98 5.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 29.8 tt0 -170.28 145.66 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.417 ' N ' ' HG2' ' A' ' 57' ' ' GLN . 1.6 t70 -133.03 74.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.48 -88.28 1.57 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.0 p -111.31 -25.0 9.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 111.118 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -83.44 155.64 23.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.5 m -131.31 173.31 11.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -163.4 130.19 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.563 ' HB2' ' CD1' ' A' ' 40' ' ' TRP . 1.1 tm? -129.44 118.88 22.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.415 ' N ' HD21 ' A' ' 64' ' ' LEU . 33.1 mt-30 -105.63 139.52 40.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.483 HD11 ' CE2' ' A' ' 77' ' ' TYR . 27.9 mt -121.19 95.8 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -81.19 128.82 34.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.18 43.89 2.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.7 143.0 56.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 110.932 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -160.56 160.16 31.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.8 mmt -37.69 -45.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.39 -43.17 88.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER -56.03 -31.85 63.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.8 m -50.0 104.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.09 -141.35 3.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.71 142.4 50.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.523 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 21.1 m-85 -125.08 139.76 53.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 m -130.96 121.66 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.407 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 5.6 t -92.32 106.06 18.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 t -93.07 142.24 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 25.9 p -118.84 -31.38 4.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 174.68 -70.95 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -104.66 -33.55 8.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -117.24 162.87 17.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.522 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 4.8 ptp180 -158.8 157.35 31.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.8 t -104.41 -177.58 3.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 p -161.3 143.36 11.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -164.29 123.06 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.064 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 19.6 mtp -67.64 147.73 52.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.477 HD23 ' CE1' ' A' ' 77' ' ' TYR . 4.7 tp -119.49 108.27 14.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 64.5 m -89.94 127.38 36.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.6 t -108.71 86.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -57.38 103.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.403 ' HA ' ' CD ' ' A' ' 22' ' ' GLU . . . -49.89 143.33 7.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.412 ' CD1' ' O ' ' A' ' 22' ' ' GLU . 15.2 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.808 0.337 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -118.92 126.39 51.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 97.4 m-85 -50.16 96.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.416 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 44.3 pt -64.37 -31.49 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 12' ' ' ILE . 22.7 mm-40 -122.88 128.9 50.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -90.12 134.67 34.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.449 ' CG2' ' HB2' ' A' ' 88' ' ' ALA . 33.2 m -55.59 163.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -102.26 150.73 23.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -42.16 161.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 27' ' ' VAL . 6.5 tp-100 -126.07 132.01 52.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -146.39 134.72 21.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.11 152.66 3.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -78.61 151.23 32.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' O ' ' CD1' ' A' ' 95' ' ' LEU . 13.8 mt-10 -44.44 144.88 0.94 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.55 28.92 56.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.415 ' C ' HD12 ' A' ' 69' ' ' LEU . . . -118.54 -174.83 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.898 0.38 . . . . 0.0 111.073 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.5 m -128.94 106.77 9.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.74 154.93 41.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.051 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.427 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 95.3 t -138.66 118.96 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 mt -117.7 112.76 20.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.414 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 78.4 mt-30 -114.1 145.04 42.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.432 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 3.9 p -147.28 169.47 19.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -131.58 148.66 52.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.523 HD22 ' CD1' ' A' ' 11' ' ' PHE . 12.1 mt -120.55 147.43 45.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.416 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.2 t30 -58.81 -22.92 59.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' ALA . 12.1 t -162.46 144.93 11.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' SER . . . -34.06 117.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.499 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -159.83 148.89 14.05 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.577 0.703 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 178.49 4.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.645 2.23 . . . . 0.0 112.308 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.8 m -156.99 159.8 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.419 ' CD ' HG23 ' A' ' 46' ' ' THR . 32.4 tt0 -134.7 85.97 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 99.3 m95 -53.21 113.96 1.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -102.71 -176.85 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.485 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 34.2 tttt -168.83 130.6 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.7 45.26 0.36 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.537 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m 70.82 50.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 110.856 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -156.63 130.35 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.419 HG23 ' CD ' ' A' ' 39' ' ' GLU . 53.5 m -75.82 134.24 40.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.7 mt -106.78 165.27 11.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -147.29 150.36 34.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -64.11 137.91 58.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.68 -126.98 0.87 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -88.47 -49.21 7.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.812 0.339 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -82.48 -41.2 20.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -94.34 139.99 30.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.43 96.82 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.462 HD22 ' CD2' ' A' ' 64' ' ' LEU . 5.8 mt -93.56 120.64 34.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -129.59 112.52 13.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 35.7 tt0 -107.19 140.5 39.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -128.88 78.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.84 -89.18 1.25 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.0 p -109.34 -25.85 10.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 111.147 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -83.34 155.04 23.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.7 m -133.16 173.3 11.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -165.1 138.64 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.525 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 0.4 OUTLIER -141.69 114.3 8.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -102.5 146.52 28.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.4 mt -123.16 99.64 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -80.02 123.04 27.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.41 54.86 1.13 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.415 HD12 ' C ' ' A' ' 24' ' ' ALA . 43.4 mt -67.43 112.27 4.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -122.95 146.9 47.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 77.0 mmm -38.23 -39.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.63 98.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 70' ' ' ALA . 87.8 m-20 -54.53 -36.82 64.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.5 m -39.71 114.11 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.74 -140.85 2.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.445 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -135.94 114.66 11.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.542 ' CE1' HD23 ' A' ' 90' ' ' LEU . 22.7 m-85 -97.22 140.81 31.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -133.29 124.55 27.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.0 t -94.93 100.19 12.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.466 ' HA ' ' CB ' ' A' ' 85' ' ' ARG . 2.4 t -94.01 137.82 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.63 -53.66 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -161.64 -61.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -108.9 -38.03 5.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.741 0.305 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -117.3 172.58 7.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -165.27 171.05 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.2 t -123.94 179.67 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 p -158.07 155.74 29.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.449 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . . . -157.66 105.23 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 71.1 mmm -52.28 126.96 20.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.542 HD23 ' CE1' ' A' ' 77' ' ' TYR . 6.5 tp -108.22 115.7 30.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 86.7 m -102.15 126.14 49.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.4 t -107.44 96.95 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -70.6 113.93 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.54 147.7 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.441 ' CD1' ' O ' ' A' ' 22' ' ' GLU . 36.1 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.565 0.698 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.423 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 14.3 ptt-85 -108.67 148.44 30.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 73.5 m-85 -74.08 93.1 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 13' ' ' GLU . 40.3 pt -60.1 -32.82 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.422 ' N ' HG13 ' A' ' 12' ' ' ILE . 13.9 mm-40 -124.67 134.06 53.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.401 ' O ' ' NZ ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -95.62 129.39 42.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.467 ' CG2' ' HB1' ' A' ' 88' ' ' ALA . 34.0 m -47.33 162.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' NZ ' ' O ' ' A' ' 14' ' ' ASP . 28.8 mmtm -98.64 152.97 19.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -47.65 127.2 11.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.504 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -88.68 133.92 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -155.37 125.56 6.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -156.0 150.42 25.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.9 ptt85 -73.01 151.89 41.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -51.13 137.55 21.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.14 32.86 16.01 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -132.04 -178.28 4.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.8 m -125.4 103.26 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.416 ' C ' HG21 ' A' ' 27' ' ' VAL . . . -58.59 162.04 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.504 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 82.1 t -143.22 106.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.437 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 7.7 mt -102.11 117.75 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.432 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 75.6 mt-30 -116.68 145.51 43.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 p -146.7 174.37 11.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -134.71 160.5 37.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.485 HD21 ' CD1' ' A' ' 11' ' ' PHE . 14.8 mt -133.4 153.25 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -66.61 -24.42 66.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 t -152.95 152.25 31.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.24 111.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.509 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -158.87 151.03 17.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 111.083 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 176.04 7.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.8 m -150.31 176.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 80' ' ' VAL . 9.0 tt0 -150.5 105.29 3.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 83.7 m95 -72.82 128.13 34.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -111.68 169.54 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -134.98 92.71 2.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.38 -82.23 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.5 p -135.01 30.21 3.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.845 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -141.2 173.77 11.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.1 m -114.88 140.59 48.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.8 mt -105.73 165.6 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -151.43 143.25 23.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -52.73 120.93 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.31 -128.21 1.54 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -88.05 -56.91 3.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -74.52 -42.52 58.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -89.94 138.19 31.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.13 97.08 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.863 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.463 HD23 ' CD2' ' A' ' 64' ' ' LEU . 6.0 mt -93.6 119.29 32.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -129.49 109.63 11.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 24.4 tt0 -106.68 146.09 31.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.444 ' N ' ' HG2' ' A' ' 57' ' ' GLN . 8.0 t0 -133.86 71.76 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.19 -89.93 1.63 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.0 p -109.83 -23.75 11.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.117 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -87.28 151.1 23.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 58.3 m -128.8 175.21 8.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -166.92 123.35 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 0.4 OUTLIER -128.0 117.32 21.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -106.25 149.28 27.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.565 HD11 ' CE2' ' A' ' 77' ' ' TYR . 27.2 mt -124.12 95.51 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -75.53 126.43 30.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.403 ' O ' ' OD2' ' A' ' 73' ' ' ASP . . . 97.88 53.87 1.26 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.518 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.1 mt -69.66 143.9 53.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.03 171.39 17.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.407 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 12.7 mmt -53.48 -38.89 64.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.99 -43.36 88.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.403 ' OD2' ' O ' ' A' ' 68' ' ' GLY . 75.9 m-20 -53.98 -36.49 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.0 m -43.54 105.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.31 -144.76 4.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -131.88 133.01 44.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.565 ' CE2' HD11 ' A' ' 66' ' ' ILE . 15.4 m-85 -117.94 142.86 46.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -134.36 119.62 18.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.554 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 2.3 t -87.37 99.01 11.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.841 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 39' ' ' GLU . 2.3 t -87.05 134.0 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 25.4 p -111.03 -37.52 5.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -179.02 -77.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -96.51 -31.71 12.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.423 ' CG ' ' HA ' ' A' ' 10' ' ' ARG . 1.1 pm0 -121.24 167.88 12.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.53 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 7.2 ptp180 -159.96 158.74 31.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.8 t -108.11 176.89 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 p -155.34 149.1 25.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.467 ' HB1' ' CG2' ' A' ' 15' ' ' VAL . . . -158.52 115.46 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 70.2 mmm -62.74 121.85 14.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.527 HD23 ' CE1' ' A' ' 77' ' ' TYR . 5.4 tp -98.06 110.73 23.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 73.1 m -100.26 129.04 46.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.407 ' O ' ' CE ' ' A' ' 71' ' ' MET . 85.3 t -107.65 96.46 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -67.81 112.87 5.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.3 132.27 53.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.956 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.786 0.326 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -118.13 133.15 56.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.593 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 81.7 m-85 -66.82 103.94 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 45.5 pt -70.59 -32.05 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.404 ' N ' HG13 ' A' ' 12' ' ' ILE . 11.2 mm-40 -128.3 131.62 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -91.69 135.95 33.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 29' ' ' GLN . 31.5 m -56.0 163.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -102.93 147.12 27.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -39.51 152.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -114.42 131.62 56.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -148.45 128.39 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.01 150.42 9.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -73.85 148.3 42.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' CG ' HG11 ' A' ' 92' ' ' VAL . 11.9 mt-10 -44.27 146.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.84 30.95 55.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.29 -179.62 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 111.093 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.5 m -121.87 102.38 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.47 169.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -153.95 108.93 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mt -111.79 107.96 17.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.444 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 77.0 mt-30 -108.74 145.12 35.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.435 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 7.1 p -147.1 173.18 12.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.406 ' CD ' HD12 ' A' ' 12' ' ' ILE . 23.6 tt0 -134.03 150.07 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.1 mt -120.0 150.13 41.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.477 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -67.91 -20.42 65.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.8 t -153.29 145.43 23.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.03 115.45 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.6 151.38 7.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.534 0.683 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 170.06 17.55 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.633 2.222 . . . . 0.0 112.345 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.9 m -148.12 178.44 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -145.5 124.97 13.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.54 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 84.5 m95 -91.58 113.07 25.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.419 ' HD2' ' CG2' ' A' ' 80' ' ' VAL . 34.3 mtt-85 -100.64 -179.06 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.566 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 5.3 tttm -171.42 113.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.06 41.81 60.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 t 71.33 49.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' CG ' HD23 ' A' ' 47' ' ' LEU . 3.3 pt-20 -152.5 128.69 10.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.3 m -79.13 124.6 28.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.408 HD23 ' CG ' ' A' ' 45' ' ' GLU . 13.7 mt -99.33 160.37 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -138.43 169.65 17.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.486 ' N ' HD11 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -83.18 128.22 34.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.09 -129.83 1.17 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -84.65 -56.03 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 mtm105 -76.86 -42.06 41.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -93.77 141.36 28.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.28 101.75 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.486 HD11 ' N ' ' A' ' 49' ' ' ASP . 2.1 mt -97.82 118.85 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -117.92 177.69 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.794 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -171.55 135.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -125.47 68.48 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.12 -85.05 1.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.2 p -112.58 -23.06 10.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -85.96 149.09 25.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.2 m -128.55 166.48 18.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -153.19 152.32 31.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.54 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 0.6 OUTLIER -151.58 111.56 4.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -97.19 149.52 21.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.517 HD11 ' CE2' ' A' ' 77' ' ' TYR . 26.6 mt -127.56 93.42 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -75.94 134.85 40.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.11 42.83 4.24 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.92 111.41 1.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 110.929 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.19 162.63 27.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 11.6 mmt -43.18 -34.39 1.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.73 -43.55 72.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.15 -33.2 62.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.0 m -46.58 105.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.33 -153.72 7.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -123.0 129.38 51.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.566 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 21.3 m-85 -112.79 142.27 45.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.0 m -132.31 122.04 24.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 t -91.91 106.63 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.456 ' HA ' ' CB ' ' A' ' 85' ' ' ARG . 2.8 t -93.05 144.35 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.593 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 17.1 p -131.83 38.46 3.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.12 -76.85 0.31 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -114.99 -46.58 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -95.7 166.45 11.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.562 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -163.56 166.45 22.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.0 t -113.32 -174.94 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 p -160.86 146.81 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -156.16 105.6 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 70.4 mmm -51.15 134.55 26.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.8 tp -115.69 116.86 28.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.7 m -105.28 130.22 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.433 ' O ' ' CE ' ' A' ' 71' ' ' MET . 61.3 t -107.55 90.39 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -59.99 107.45 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.35 128.64 35.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.628 0.727 . . . . 0.0 110.936 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.758 0.313 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.42 ' HA ' ' CD ' ' A' ' 84' ' ' GLU . 5.4 ptp85 -109.79 138.27 46.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.595 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 65.0 m-85 -74.07 100.54 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 42.9 pt -71.38 -28.18 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -126.31 128.76 47.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -93.67 138.24 32.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.449 ' CG1' ' O ' ' A' ' 29' ' ' GLN . 21.0 m -59.54 158.85 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -92.85 167.18 12.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.69 127.22 30.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.504 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -83.8 133.0 34.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -153.06 107.73 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.51 164.53 29.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -82.81 155.54 24.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -55.82 139.75 44.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.54 -0.5 88.31 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.07 179.32 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.7 m -117.43 111.24 19.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' HG23 ' A' ' 27' ' ' VAL . . . -66.93 159.08 29.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.504 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 92.1 t -142.74 112.28 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.404 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 8.3 mt -110.81 113.59 26.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.449 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 79.4 mt-30 -111.02 151.04 28.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.39 179.08 9.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -142.24 149.77 40.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 mt -121.79 151.97 40.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.466 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -71.22 -11.19 60.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.0 t -162.72 140.93 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.65 119.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -166.19 151.66 7.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.572 0.701 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 177.35 5.65 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.5 m -150.83 164.47 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.428 ' CG ' HG22 ' A' ' 46' ' ' THR . 33.1 tt0 -135.02 93.67 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.528 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 99.5 m95 -64.2 118.26 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -106.24 -174.74 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 8.3 tmtt? -169.09 133.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.45 49.83 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.4 m 66.48 51.86 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' OE2' ' CD ' ' A' ' 42' ' ' LYS . 2.1 pt-20 -156.49 142.47 18.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.428 HG22 ' CG ' ' A' ' 39' ' ' GLU . 86.5 m -89.18 131.15 35.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.9 mt -100.77 166.76 10.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.962 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -141.71 153.08 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.412 ' CB ' HD11 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -72.53 118.01 14.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -145.81 -139.87 3.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -76.57 -54.18 7.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.861 0.362 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -74.84 -42.43 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -90.72 140.19 30.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.52 112.12 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.822 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 2.7 mp -103.91 113.65 27.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -120.61 120.29 35.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 42.2 tt0 -118.06 145.24 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -131.87 67.58 1.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.13 -82.52 1.61 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 52.2 p -116.23 -17.43 10.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.351 . . . . 0.0 111.114 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -89.24 146.54 24.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 21.9 m -125.91 162.13 25.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -158.38 124.31 4.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.528 ' HB2' ' CD1' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -123.87 118.82 27.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.459 ' N ' HD22 ' A' ' 64' ' ' LEU . 21.4 mt-30 -107.19 134.66 49.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.434 HD11 ' CE2' ' A' ' 77' ' ' TYR . 23.3 mt -113.43 99.07 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.1 mtp85 -77.99 123.96 27.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.71 53.7 1.29 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.0 mt -67.62 138.56 56.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -148.33 171.88 15.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.465 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 7.6 mmt -56.65 -42.21 78.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.11 -37.02 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -62.07 -29.5 70.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.3 m -53.35 111.63 0.74 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.093 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.28 -125.7 0.82 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -145.03 123.7 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 2.0 m-85 -107.83 149.38 28.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 86' ' ' THR . 1.6 m -138.54 128.34 25.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.431 ' SG ' ' CE2' ' A' ' 40' ' ' TRP . 4.2 t -102.09 105.43 16.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.431 ' HA ' ' CB ' ' A' ' 85' ' ' ARG . 1.9 t -93.25 148.97 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.595 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 29.4 p -122.9 -39.85 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.85 -71.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -100.54 -40.42 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.942 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.42 ' CD ' ' HA ' ' A' ' 10' ' ' ARG . 7.2 pt-20 -117.52 175.09 5.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.577 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -161.42 171.38 18.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.459 ' O ' ' HA ' ' A' ' 78' ' ' SER . 6.8 t -127.92 159.86 33.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.37 159.15 42.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -156.46 107.06 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 58.4 mmm -48.6 120.28 3.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 tp -100.49 121.93 42.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.2 m -112.96 118.46 34.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.465 ' O ' ' CE ' ' A' ' 71' ' ' MET . 78.7 t -95.17 103.3 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -70.26 104.05 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.79 127.25 22.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.7 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 110.938 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.768 0.318 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -114.3 144.2 43.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.594 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 80.4 m-85 -70.42 102.36 2.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.462 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 43.3 pt -71.6 -30.13 37.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -125.38 129.38 49.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -91.46 131.4 36.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 30' ' ' CYS . 32.7 m -55.06 159.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -97.64 150.9 20.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -45.19 139.52 3.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -99.33 136.31 39.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -152.05 119.65 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.69 145.79 24.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.407 ' CD ' HD22 ' A' ' 95' ' ' LEU . 14.7 mtt180 -69.37 145.77 52.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -40.86 149.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.69 31.02 67.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.6 179.19 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.433 HG22 ' CG ' ' A' ' 67' ' ' ARG . 38.2 m -121.88 102.97 8.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.28 159.6 7.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.3 t -142.78 110.45 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 9.9 mt -107.96 112.58 25.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -111.56 139.81 46.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.468 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 8.1 p -144.29 172.3 13.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -135.35 149.63 49.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.419 HD22 ' CD1' ' A' ' 11' ' ' PHE . 11.9 mt -122.25 151.23 41.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.462 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.0 OUTLIER -65.64 -23.89 66.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t -150.53 142.36 23.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.35 116.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.56 154.96 14.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.551 0.691 . . . . 0.0 111.122 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 177.18 5.88 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.0 m -154.97 -179.29 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 80' ' ' VAL . 26.5 tt0 -151.82 107.46 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.559 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 92.3 m95 -75.74 119.16 19.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 45' ' ' GLU . 84.1 mtt-85 -108.38 175.91 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.487 ' HD2' ' CZ ' ' A' ' 77' ' ' TYR . 5.9 tttm -169.14 105.05 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.48 48.48 43.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 p 63.86 28.78 14.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.853 0.359 . . . . 0.0 110.906 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 46' ' ' THR . 3.5 pt-20 -121.23 175.78 5.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.454 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 24.4 m -124.2 111.51 15.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.415 ' CG ' ' O ' ' A' ' 40' ' ' TRP . 11.4 mt -75.06 165.61 24.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -150.24 149.13 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.416 ' CB ' HD11 ' A' ' 55' ' ' LEU . 34.8 t0 -75.42 139.0 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.16 -118.88 0.46 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -97.14 -65.25 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -65.7 -31.93 73.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.403 ' CE2' HG12 ' A' ' 66' ' ' ILE . 29.1 m-85 -99.91 162.37 13.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -154.82 105.46 2.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.454 HD12 ' CD2' ' A' ' 64' ' ' LEU . 6.5 mp -101.52 101.82 12.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -103.61 175.46 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -168.99 139.42 2.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -130.2 77.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.45 -87.09 1.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 39.3 p -113.98 -22.73 9.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 111.131 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -85.68 148.62 25.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.5 m -126.83 170.12 12.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -159.76 128.18 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.5 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 1.4 tm? -128.24 119.42 25.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.452 ' N ' HD23 ' A' ' 64' ' ' LEU . 28.0 mt-30 -108.06 136.54 47.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.534 HD12 ' CE2' ' A' ' 77' ' ' TYR . 22.6 mt -118.43 94.05 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.433 ' CG ' HG22 ' A' ' 25' ' ' THR . 28.9 mtt-85 -76.59 134.34 39.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.53 44.98 3.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.0 mt -64.66 147.8 52.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.8 171.74 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.1 mmt -53.95 -31.45 50.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.98 -41.32 67.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.26 -33.91 65.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.0 m -45.59 104.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.13 -153.54 7.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.532 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -123.21 126.03 46.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.566 ' CE1' HD21 ' A' ' 90' ' ' LEU . 3.9 m-85 -108.82 150.09 28.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -138.49 121.45 16.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.4 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 5.1 t -88.52 100.49 13.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.459 ' HA ' ' CB ' ' A' ' 85' ' ' ARG . 1.8 t -89.16 136.14 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.594 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 30.8 p -120.95 27.24 8.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.53 -72.55 0.3 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -108.74 -43.92 4.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.736 0.303 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -101.56 168.55 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.53 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -167.55 155.62 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 87' ' ' SER . 8.1 t -106.85 -174.0 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.422 ' N ' ' OG1' ' A' ' 86' ' ' THR . 1.4 p -159.52 149.01 18.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.464 ' HB3' ' CG2' ' A' ' 15' ' ' VAL . . . -160.38 109.43 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 75.1 mmm -54.83 132.27 45.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.566 HD21 ' CE1' ' A' ' 77' ' ' TYR . 7.9 tp -111.88 113.29 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 63.6 m -102.43 127.47 49.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.0 t -106.41 88.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 93' ' ' ARG . 6.0 mmm180 -58.28 109.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.05 130.03 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.407 HD22 ' CD ' ' A' ' 21' ' ' ARG . 27.2 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.555 0.693 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.767 0.318 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.415 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 7.1 ptt-85 -120.75 140.89 51.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 69.4 m-85 -73.52 93.13 1.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.462 HG23 ' CA ' ' A' ' 33' ' ' ASN . 43.7 pt -60.58 -30.8 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -121.9 132.92 54.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -101.55 127.97 48.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.3 m -53.07 170.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -178.99 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -65.65 141.42 58.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -103.0 133.27 48.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -146.3 126.51 13.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -160.33 136.89 8.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -65.39 144.06 57.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.4 ' O ' ' CD1' ' A' ' 95' ' ' LEU . 19.2 mt-10 -40.21 149.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.62 22.86 77.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.34 -175.15 2.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.883 0.373 . . . . 0.0 111.1 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.5 m -127.88 107.96 10.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.09 158.51 13.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.2 t -140.29 117.03 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 mt -116.07 119.17 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -118.17 141.97 47.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 p -148.99 170.12 19.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' CD ' ' HG2' ' A' ' 61' ' ' LYS . 3.5 tp10 -126.23 159.72 32.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.6 mt -128.3 146.09 50.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.462 ' CA ' HG23 ' A' ' 12' ' ' ILE . 20.5 p-10 -64.29 -15.52 60.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.9 t -162.77 149.68 13.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.06 107.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.495 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -155.99 153.22 25.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 111.089 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 176.18 7.13 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.6 m -151.53 166.36 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.421 ' CD ' HG22 ' A' ' 46' ' ' THR . 11.5 tt0 -134.96 92.34 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.517 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 98.5 m95 -60.77 113.14 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.431 ' HD2' ' CG2' ' A' ' 80' ' ' VAL . 65.1 mtt-85 -101.9 -177.42 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 45' ' ' GLU . 28.2 tttt -169.69 137.48 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 34.56 39.93 0.17 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.509 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 t 73.99 42.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 110.831 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 42' ' ' LYS . 2.9 pt-20 -144.1 155.6 44.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.421 HG22 ' CD ' ' A' ' 39' ' ' GLU . 98.3 m -99.68 128.76 45.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.157 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.409 ' C ' ' HG2' ' A' ' 48' ' ' ARG . 5.9 mt -103.35 169.01 8.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.409 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 17.4 mmm180 -148.96 146.34 27.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.18 135.78 57.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.12 -129.35 1.09 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -83.5 -55.14 4.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -76.56 -44.24 35.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -91.53 140.54 29.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.75 98.62 4.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.468 HD21 ' CD2' ' A' ' 64' ' ' LEU . 5.2 mt -98.12 122.48 41.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -128.18 125.27 38.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 24.0 tt0 -126.02 142.35 51.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -134.7 64.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.87 -92.91 1.49 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.5 p -105.86 -20.61 13.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HG2' ' CD ' ' A' ' 31' ' ' GLU . 4.2 mtpm? -84.74 148.92 26.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.0 m -138.28 148.51 44.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -143.73 143.4 31.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.827 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.517 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 0.3 OUTLIER -144.3 115.68 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -104.78 148.72 26.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.497 HD12 ' CE2' ' A' ' 77' ' ' TYR . 15.7 mt -123.84 98.9 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -80.71 122.06 26.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.55 50.95 0.88 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.52 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.3 mt -69.11 141.01 54.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.16 159.98 35.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.405 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 11.1 mmt -42.21 -32.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.82 -44.85 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.8 -29.08 53.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.8 m -51.21 107.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.82 -143.13 3.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.514 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -131.35 133.16 45.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.497 ' CE2' HD12 ' A' ' 66' ' ' ILE . 23.3 m-85 -115.24 140.76 48.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m -130.95 120.45 23.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.9 t -92.61 104.7 16.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.431 ' CG2' ' HD2' ' A' ' 41' ' ' ARG . 2.3 t -92.82 145.51 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 27.6 p -118.62 -36.83 3.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 175.15 -62.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.503 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -105.35 -37.77 6.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.917 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -120.41 169.31 10.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.534 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 16.9 ptt-85 -159.21 162.48 36.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.4 t -109.79 179.82 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.86 145.25 15.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.42 117.65 2.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.058 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.33 138.36 58.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 tp -112.32 110.68 21.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.0 m -94.3 126.53 39.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.405 ' O ' ' CE ' ' A' ' 71' ' ' MET . 84.2 t -105.52 90.94 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -63.83 106.33 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.36 142.89 5.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.4 ' CD1' ' O ' ' A' ' 22' ' ' GLU . 19.1 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.477 ' HB2' ' CB ' ' A' ' 36' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.786 0.327 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.494 ' CB ' ' OE2' ' A' ' 84' ' ' GLU . 17.1 ptt180 -118.29 132.62 56.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 70.9 m-85 -68.85 97.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 47.4 pt -66.64 -31.32 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -129.98 130.1 44.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -92.12 138.8 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.446 HG23 ' CB ' ' A' ' 88' ' ' ALA . 25.6 m -56.19 157.62 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -95.77 154.05 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -46.68 143.55 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -105.08 142.48 34.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -159.34 136.05 9.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.06 151.45 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -72.03 144.5 48.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -43.52 141.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.05 29.88 40.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.37 178.42 4.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 111.091 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.2 m -116.65 108.76 16.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.61 164.31 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.0 t -149.92 113.85 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.544 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.0 mt -114.07 117.1 30.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -116.13 143.56 45.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.0 p -145.39 169.32 18.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -132.72 142.64 49.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' A' ' 11' ' ' PHE . 9.4 mt -116.78 147.97 41.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.476 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -61.78 -22.58 65.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 35' ' ' ALA . 4.6 t -160.13 141.25 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 34' ' ' SER . . . -33.29 122.3 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.477 ' CB ' ' HB2' ' A' ' 9' ' ' ALA . . . -165.88 149.88 7.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.603 0.716 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 177.0 6.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.326 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.8 m -155.51 158.61 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CD ' HG21 ' A' ' 46' ' ' THR . 29.9 tt0 -133.46 84.03 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.544 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 96.5 m95 -53.7 117.7 3.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 45' ' ' GLU . 75.1 mtt180 -103.12 -178.06 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 8.4 tmtt? -164.48 128.22 2.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.42 45.68 0.98 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.5 t 71.93 50.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' HA ' ' A' ' 41' ' ' ARG . 2.4 pt-20 -156.78 149.09 23.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.424 HG21 ' CD ' ' A' ' 39' ' ' GLU . 99.4 m -90.8 133.32 35.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.5 mt -98.44 170.77 8.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -150.26 147.45 27.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.479 ' CA ' HD12 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -75.98 115.42 15.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.4 -127.74 2.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.88 -51.91 6.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -80.02 -42.12 24.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -85.1 160.28 20.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -153.32 105.06 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.479 HD12 ' CA ' ' A' ' 49' ' ' ASP . 6.7 mp -103.78 100.82 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 -102.83 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -171.65 137.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -128.79 75.34 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.0 -89.49 1.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.5 p -110.04 -23.91 11.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -85.32 147.12 26.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.948 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 76.2 m -125.43 171.32 10.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -158.4 137.63 11.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.53 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 1.4 tm? -138.42 117.7 12.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.438 ' N ' HD21 ' A' ' 64' ' ' LEU . 20.6 mt-30 -107.91 139.47 42.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.447 HD12 ' CE2' ' A' ' 77' ' ' TYR . 18.1 mt -121.02 117.39 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -93.21 135.47 34.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.84 50.96 2.95 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.1 mt -66.69 107.06 2.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -124.6 164.96 18.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.481 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 10.5 mmt -45.37 -30.64 1.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.94 -44.2 73.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.53 -33.58 55.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.0 m -48.85 117.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -174.81 -134.29 1.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -140.8 116.39 10.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 18.8 m-85 -99.99 141.31 32.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -133.88 125.13 27.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.443 ' SG ' ' CE2' ' A' ' 40' ' ' TRP . 2.4 t -94.59 100.15 12.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.446 ' HA ' ' CB ' ' A' ' 85' ' ' ARG . 2.5 t -91.7 135.43 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.449 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -108.03 -46.01 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.12 -65.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -104.88 -40.5 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.494 ' OE2' ' CB ' ' A' ' 10' ' ' ARG . 6.0 pt-20 -117.75 169.91 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.573 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -160.78 169.0 23.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.1 t -118.43 -178.09 3.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.9 p -159.37 152.35 21.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.446 ' CB ' HG23 ' A' ' 15' ' ' VAL . . . -155.13 105.05 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.064 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 77.1 mmm -50.48 129.31 21.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.0 tp -108.17 119.5 39.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.7 m -107.2 119.7 40.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.481 ' O ' ' CE ' ' A' ' 71' ' ' MET . 85.8 t -102.42 88.12 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -59.77 107.78 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.02 142.94 28.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 72.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.587 0.708 . . . . 0.0 110.882 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 p -81.22 140.66 34.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.3 m 47.33 41.55 12.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.51 94.78 1.3 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -137.42 148.89 46.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -167.62 154.16 7.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.35 -98.92 0.2 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 159.01 55.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.728 2.285 . . . . 0.0 112.368 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.62 146.4 42.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -117.25 139.21 51.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 72.6 m-85 -68.52 96.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.4 pt -65.21 -31.35 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -126.47 119.78 28.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.33 129.25 34.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.3 m -48.16 162.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -103.66 151.28 23.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -39.43 148.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -111.23 131.2 55.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -144.84 124.74 13.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.98 137.45 9.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -64.91 147.46 53.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -41.35 152.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.4 28.69 73.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.542 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.6 -174.96 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.0 m -126.6 102.62 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.459 ' N ' HD11 ' A' ' 69' ' ' LEU . . . -63.59 164.33 9.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.8 t -148.91 108.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 mt -107.8 112.41 25.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -116.38 147.08 41.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 p -148.11 179.91 7.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -139.23 148.22 42.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 mt -122.73 151.78 41.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -67.33 -21.51 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -153.08 149.29 27.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.37 113.49 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -158.36 150.64 17.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.587 0.708 . . . . 0.0 111.095 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 176.74 6.36 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.0 m -150.38 165.94 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -134.83 88.16 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.495 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 99.3 m95 -57.47 116.52 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.45 ' HD2' ' CG2' ' A' ' 80' ' ' VAL . 48.0 mtt-85 -103.24 -177.41 3.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.548 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 13.5 tmtt? -168.16 132.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.26 44.24 0.25 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.493 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.3 m 71.59 49.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -155.07 145.09 21.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.2 m -88.52 130.65 35.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.0 mt -103.46 164.7 11.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -145.36 144.15 30.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.05 130.43 46.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.76 -125.07 0.77 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -89.46 -50.85 5.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -80.86 -40.31 25.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -95.98 140.05 31.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.01 99.95 4.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.465 HD21 ' CD2' ' A' ' 64' ' ' LEU . 5.3 mt -97.0 120.4 37.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -129.42 129.41 44.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 35.0 tt0 -121.98 144.29 48.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -132.01 75.19 1.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.53 -90.01 1.61 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.1 p -109.75 -22.82 11.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 111.126 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -86.46 152.08 22.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 79.9 m -128.98 172.45 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -160.83 147.3 15.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.495 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 0.5 OUTLIER -150.41 121.05 7.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.456 ' N ' HD21 ' A' ' 64' ' ' LEU . 20.9 mt-30 -108.04 145.85 33.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.1 mt -123.93 96.74 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -80.6 126.59 31.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.73 41.93 2.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 26' ' ' ALA . 53.9 mt -61.51 123.03 16.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.98 169.44 17.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 7.6 mmt -49.75 -46.05 50.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.63 84.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.14 -34.72 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 38.5 m -46.34 100.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.499 ' O ' ' CE ' ' A' ' 89' ' ' MET . . . -158.13 -154.27 7.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -117.93 124.83 49.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.368 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.559 ' CE1' HD22 ' A' ' 90' ' ' LEU . 17.9 m-85 -108.39 139.54 42.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -133.29 130.04 38.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.521 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 6.0 t -101.02 105.34 16.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.45 ' CG2' ' HD2' ' A' ' 41' ' ' ARG . 1.6 t -96.37 139.46 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 1.7 p -131.04 17.12 5.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.99 -100.86 0.2 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -98.06 -33.21 11.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.559 ' OE2' ' CD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -105.12 167.44 9.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.52 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 8.2 ptt180 -163.72 159.97 22.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.7 t -106.55 179.62 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.27 139.53 13.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -148.37 108.28 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -53.75 128.2 28.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.559 HD22 ' CE1' ' A' ' 77' ' ' TYR . 10.2 tp -109.37 108.95 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 40.3 m -100.58 125.55 46.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.495 ' O ' ' CE ' ' A' ' 71' ' ' MET . 87.5 t -101.98 91.22 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.8 mmm-85 -64.36 104.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.67 131.1 25.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.81 152.69 75.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 103.95 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.668 2.245 . . . . 0.0 112.318 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 29.6 mt -44.9 131.26 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -85.49 41.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -56.25 123.96 16.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.8 p -88.84 112.06 22.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -75.22 141.06 43.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.0 p -109.61 113.92 27.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.72 81.92 0.33 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 0.57 5.43 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.712 2.274 . . . . 0.0 112.355 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.3 t 71.57 44.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.1 t -115.18 -42.03 3.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -114.62 -52.34 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.373 . . . . 0.0 110.89 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.8 p -49.16 -23.22 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.71 179.46 16.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 p -137.01 159.25 42.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -40.03 -56.77 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.0 -147.38 3.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 159.08 54.77 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.249 . . . . 0.0 112.313 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.94 138.41 51.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -115.77 145.44 42.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 96.6 m-85 -71.03 104.22 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 pt -72.22 -27.69 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -127.8 116.34 20.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.43 128.94 34.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 88' ' ' ALA . 30.7 m -47.91 163.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -103.18 148.51 25.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -40.42 147.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 27' ' ' VAL . 6.6 tp-100 -108.18 149.1 28.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -158.32 132.03 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -172.17 137.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -65.45 150.48 48.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -44.9 148.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.55 24.19 75.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.12 -175.43 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.8 m -126.1 105.09 8.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.06 160.35 24.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.093 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.437 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 17.6 t -143.87 116.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.445 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.1 mt -115.26 117.24 29.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -117.11 142.25 47.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -142.35 -175.17 4.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -146.89 154.55 41.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mt -131.86 151.81 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.436 ' C ' ' OD1' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -66.67 -24.69 66.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -150.23 145.17 26.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.06 118.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.472 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -161.4 149.61 12.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.553 0.692 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 177.16 5.88 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.4 m -152.09 163.02 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -133.53 85.79 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.503 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 97.7 m95 -57.33 116.93 3.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -103.78 -176.88 3.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.566 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 11.4 tmtt? -165.81 129.66 2.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.16 41.48 0.49 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t 75.04 48.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.332 . . . . 0.0 110.814 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -155.03 135.13 13.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.2 m -79.31 131.13 36.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.2 mt -99.62 166.72 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -145.13 154.21 42.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.45 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -75.28 135.39 40.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.87 -137.05 2.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -76.76 -58.66 3.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.9 mtt85 -71.59 -45.1 63.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -90.81 157.4 17.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -151.56 106.52 3.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.45 HD13 ' CB ' ' A' ' 49' ' ' ASP . 6.8 mp -99.6 101.68 12.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -108.41 116.49 32.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 36.7 tt0 -115.71 140.18 49.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -128.74 76.33 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.0 -88.8 1.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 39.2 p -109.8 -25.45 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 111.14 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -84.05 144.19 29.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 55.8 m -125.71 159.33 32.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -148.33 134.56 19.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.503 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 1.8 tm? -131.86 117.55 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -110.6 133.72 53.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.437 HD12 ' CE2' ' A' ' 77' ' ' TYR . 10.7 mt -115.53 100.47 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -84.18 124.36 31.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.83 44.37 2.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.3 mt -57.47 152.57 14.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -160.66 165.28 30.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.437 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 13.1 mmt -47.96 -50.72 26.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.4 -43.83 68.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.73 -27.82 43.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.4 m -55.37 108.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.03 -131.71 1.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -136.65 135.05 37.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.378 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.566 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 26.3 m-85 -114.79 138.2 51.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -128.93 123.92 33.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.491 ' SG ' ' CE2' ' A' ' 40' ' ' TRP . 3.2 t -96.53 100.12 11.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.423 ' HA ' ' CB ' ' A' ' 85' ' ' ARG . 2.4 t -88.11 140.21 16.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 24.3 p -112.53 -36.39 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 173.11 -58.67 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -106.17 -36.14 6.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -129.05 170.94 12.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.538 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -156.93 171.12 21.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 87' ' ' SER . 5.4 t -114.31 -178.4 3.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.419 ' N ' ' OG1' ' A' ' 86' ' ' THR . 1.3 p -156.43 141.6 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.445 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . . . -153.06 119.45 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 80.1 mmm -65.95 137.03 56.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tp -117.76 116.28 26.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 77.8 m -102.31 126.37 49.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.437 ' O ' ' CE ' ' A' ' 71' ' ' MET . 96.6 t -105.31 94.85 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -64.88 102.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.93 140.86 3.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.3 mt -61.67 152.8 73.86 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 100.68 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 98' ' ' LYS . 4.0 mp -54.41 -53.0 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 97' ' ' ILE . 53.7 mttm -35.77 -61.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -78.36 115.63 18.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.7 t -82.14 39.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -163.93 175.97 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.3 t -123.03 101.38 7.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 177.16 145.79 5.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 105' ' ' SER . 53.2 Cg_endo -69.84 -27.47 26.07 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 104' ' ' PRO . 27.9 t -35.33 115.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.7 t -115.16 -47.25 2.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.505 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t 53.79 42.12 31.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.387 . . . . 0.0 110.885 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -87.83 -48.0 8.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.42 92.13 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 t 56.49 41.74 28.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.81 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 p -52.94 -58.11 8.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.69 -176.69 22.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 159.1 54.65 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.332 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.59 140.97 49.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.441 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 8.6 ptp180 -112.95 137.31 51.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.585 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 76.6 m-85 -66.15 99.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 13' ' ' GLU . 45.2 pt -65.63 -32.53 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.421 ' N ' HG13 ' A' ' 12' ' ' ILE . 4.5 mm-40 -124.94 133.64 52.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.08 127.85 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.443 HG23 ' CB ' ' A' ' 88' ' ' ALA . 23.7 m -47.68 159.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -94.62 155.25 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -52.89 123.77 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -79.65 134.63 36.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -150.88 116.17 5.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.3 140.32 19.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -65.55 149.23 50.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -45.72 145.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.18 31.86 61.02 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -123.5 -175.9 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.361 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.2 m -123.07 108.57 13.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.83 157.14 38.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.498 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 58.5 t -139.78 110.11 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.508 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 6.7 mt -107.05 108.73 20.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -113.33 146.1 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 p -145.26 -178.44 6.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -140.64 156.31 46.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 11' ' ' PHE . 11.4 mt -129.57 154.28 47.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.441 ' ND2' ' HG2' ' A' ' 10' ' ' ARG . 39.3 p-10 -71.37 -19.3 62.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.8 t -153.03 143.17 22.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.01 112.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -162.18 150.72 12.49 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.549 0.69 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 174.85 8.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.3 m -155.17 177.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -141.5 125.45 17.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.53 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 91.7 m95 -90.58 110.72 21.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -97.35 -174.99 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 43' ' ' GLY . 34.1 tttt -167.3 130.4 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 34.33 43.64 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m 73.88 49.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.867 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 42' ' ' LYS . 2.9 pt-20 -155.08 132.53 11.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.8 m -81.76 130.6 35.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.22 174.28 5.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -149.19 151.1 33.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.57 136.76 53.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -168.59 -129.79 1.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -83.0 -58.14 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -71.73 -44.67 63.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -93.99 140.26 29.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -134.42 98.38 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.853 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.472 ' CD2' HD21 ' A' ' 64' ' ' LEU . 7.1 mt -91.05 118.54 30.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 54' ' ' SER . 0.9 OUTLIER -122.99 129.31 51.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -123.55 142.27 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -133.82 75.28 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.12 -89.63 1.62 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.445 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.5 p -110.67 -24.4 10.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 0.0 111.099 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -85.91 145.05 27.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.7 m -121.87 173.7 7.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 64' ' ' LEU . 45.6 tt0 -158.31 154.36 26.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.53 ' HB2' ' CD1' ' A' ' 40' ' ' TRP . 0.4 OUTLIER -157.33 110.18 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -98.45 150.91 21.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.563 HD13 ' CE2' ' A' ' 77' ' ' TYR . 26.2 mt -126.81 100.92 6.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -84.35 123.53 30.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.99 47.72 1.32 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.527 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.2 mt -66.25 143.33 57.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -160.35 157.44 27.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 13.4 mmt -38.8 -39.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.77 -45.64 85.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' ALA . 0.7 OUTLIER -52.09 -34.43 43.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.9 m -47.42 107.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.48 -136.65 2.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -135.38 129.52 33.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.876 0.37 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.563 ' CE2' HD13 ' A' ' 66' ' ' ILE . 17.9 m-85 -113.61 137.94 50.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 m -131.51 125.1 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.4 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 t -96.61 102.08 13.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 t -90.72 133.53 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.585 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 23.1 p -107.71 -18.97 13.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.02 -68.89 0.31 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -94.87 -41.48 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 110.921 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -121.08 168.23 11.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.526 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 3.6 ptt85 -157.23 164.02 38.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.6 t -115.78 -175.63 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 p -159.39 147.17 17.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.443 ' CB ' HG23 ' A' ' 15' ' ' VAL . . . -153.02 109.84 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 72.0 mmm -61.16 114.65 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.514 HD23 ' CE1' ' A' ' 77' ' ' TYR . 6.0 tp -92.72 114.87 27.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.2 m -104.06 127.38 51.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.495 ' O ' ' CE ' ' A' ' 71' ' ' MET . 98.6 t -105.58 103.47 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -73.38 105.94 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -43.09 141.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.0 mt -65.65 155.89 84.51 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.634 0.731 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 100.47 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 mt -50.02 -38.29 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.92 173.14 7.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.446 ' CE1' ' OE1' ' A' ' 101' ' ' GLU . 3.1 t80 -121.6 119.88 33.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 59.1 p -156.81 121.11 4.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.446 ' OE1' ' CE1' ' A' ' 99' ' ' PHE . 7.4 pt-20 -151.06 126.55 10.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.8 p -129.85 123.97 32.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -60.56 -122.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.555 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -177.72 2.01 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.5 p -113.93 121.66 44.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.1 m -40.13 122.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 1' ' ' GLY . 84.6 p 34.99 41.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.842 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -119.92 41.88 3.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.36 -85.63 0.2 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -70.11 108.81 4.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 0.0 110.893 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -71.48 89.52 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.23 -145.6 4.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 159.37 53.64 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.97 152.96 21.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -128.93 132.85 47.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.602 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 92.5 m-85 -64.89 100.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 13' ' ' GLU . 44.6 pt -66.96 -33.06 60.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.436 ' N ' HG13 ' A' ' 12' ' ' ILE . 8.6 mm-40 -126.18 121.87 34.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -84.74 137.07 33.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 30' ' ' CYS . 12.0 m -58.39 156.2 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' ASN . 23.1 mmtp -97.0 147.43 24.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER -35.66 149.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.462 ' CG ' ' HB3' ' A' ' 26' ' ' ALA . 6.6 tp-100 -111.65 117.15 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.18 134.64 50.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -174.42 151.19 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' HD2' ' CD2' ' A' ' 95' ' ' LEU . 14.7 mtm180 -71.81 173.15 8.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.421 ' O ' ' CD1' ' A' ' 95' ' ' LEU . 12.9 mt-10 -67.12 159.65 28.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.55 16.66 51.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.413 ' C ' HD12 ' A' ' 69' ' ' LEU . . . -103.17 -175.1 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 111.117 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.7 m -125.79 106.75 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB3' ' CG ' ' A' ' 18' ' ' GLN . . . -70.34 158.26 36.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.449 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 21.4 t -140.97 116.32 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 mt -115.49 109.28 17.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -109.73 145.92 35.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.46 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 2.6 p -144.65 -177.46 5.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -143.56 159.04 43.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 mt -131.0 155.32 47.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.43 ' CA ' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -73.01 -20.14 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -151.02 144.36 24.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.46 112.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -162.17 152.88 14.61 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.58 0.705 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 173.98 10.21 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.324 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.2 m -153.17 179.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.469 ' CD ' ' N ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -146.21 125.53 13.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 89.0 m95 -91.9 112.09 23.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.444 ' HD2' ' CG2' ' A' ' 80' ' ' VAL . 47.7 mtt180 -100.08 -175.69 3.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.519 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 19.9 tttt -170.55 119.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 45.46 43.8 10.74 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.471 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.2 t 71.57 45.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.887 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -148.02 133.48 18.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.408 HG21 ' CD ' ' A' ' 39' ' ' GLU . 86.8 m -86.19 123.73 31.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.406 ' C ' ' HG2' ' A' ' 48' ' ' ARG . 6.1 mt -97.49 169.41 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.406 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 13.9 mmm180 -147.24 147.91 30.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.9 135.64 57.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -168.21 -128.85 1.03 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -83.59 -56.56 3.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.747 0.308 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -74.98 -44.82 46.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -91.29 139.75 30.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.95 97.93 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.47 HD22 ' CD2' ' A' ' 64' ' ' LEU . 5.7 mt -94.76 123.96 38.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -130.33 122.23 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.411 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 45.0 tt0 -115.4 139.81 49.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -130.14 74.03 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.09 -90.58 1.65 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.2 p -110.44 -21.59 12.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 111.163 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -86.79 154.17 21.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 38.3 m -133.92 168.64 18.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -160.95 136.65 8.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.518 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 0.4 OUTLIER -136.41 115.26 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -101.43 141.82 33.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.565 HD12 ' CE2' ' A' ' 77' ' ' TYR . 54.0 mt -117.57 100.08 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -85.53 120.9 27.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.27 47.8 1.04 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 24' ' ' ALA . 37.2 mt -63.16 151.6 39.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.346 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -162.21 145.73 11.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.427 ' SD ' ' CB ' ' A' ' 94' ' ' ALA . 60.2 mmm -38.73 -31.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.28 -41.54 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' ALA . 75.0 m-20 -54.76 -22.59 14.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.3 m -53.2 104.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.54 -135.34 1.9 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -139.13 131.47 28.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.565 ' CE2' HD12 ' A' ' 66' ' ' ILE . 12.2 m-85 -114.86 144.21 43.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -135.54 129.19 32.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.852 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.602 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 1.9 t -98.72 101.3 12.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.444 ' CG2' ' HD2' ' A' ' 41' ' ' ARG . 2.1 t -88.06 147.95 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 10.6 p -133.16 15.21 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.81 -82.01 0.31 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -99.87 -45.39 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.317 . . . . 0.0 110.933 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -100.68 166.66 10.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.569 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 9.5 ptt180 -164.04 153.82 14.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.809 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.9 t -106.61 177.77 4.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 p -158.94 147.11 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.452 ' CB ' HG22 ' A' ' 15' ' ' VAL . . . -156.53 109.68 2.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.069 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 77.3 mmm -50.73 140.8 14.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.472 HD23 ' CE1' ' A' ' 77' ' ' TYR . 12.3 tp -119.2 109.17 15.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.8 m -98.61 127.54 44.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.6 t -108.83 105.97 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -77.9 111.51 13.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.427 ' CB ' ' SD ' ' A' ' 71' ' ' MET . . . -50.64 138.86 17.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.075 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.452 ' CD2' ' HD2' ' A' ' 21' ' ' ARG . 22.3 mt -85.22 158.33 58.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.561 0.696 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 104.32 1.31 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.64 2.226 . . . . 0.0 112.314 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.0 mt -73.58 127.43 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.406 ' HD3' ' C ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -52.14 142.28 16.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -155.88 149.86 25.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.0 m -159.84 132.09 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -150.09 172.57 15.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 85.8 p -118.45 144.61 45.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.64 -169.2 20.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.449 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 159.69 52.43 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.268 . . . . 0.0 112.328 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.8 m -108.23 -50.07 3.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.7 m 59.16 43.38 17.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t 60.54 42.2 14.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -94.56 112.69 24.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.7 -170.04 36.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -130.64 -49.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.8 t -66.0 119.67 11.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.25 -95.6 0.12 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 162.27 42.72 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.47 126.96 41.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -104.26 159.48 15.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.572 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 82.5 m-85 -83.24 99.6 10.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.1 pt -67.51 -32.07 55.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -121.44 129.56 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.18 131.94 37.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 88' ' ' ALA . 32.8 m -55.83 161.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -102.27 148.37 25.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.51 146.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 27' ' ' VAL . 6.9 tp-100 -108.65 143.39 37.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -159.3 125.92 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.7 145.56 17.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -67.19 149.78 49.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -45.5 152.26 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.48 29.15 72.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.439 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.15 -179.16 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.9 m -123.61 108.31 12.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.428 ' C ' HG21 ' A' ' 27' ' ' VAL . . . -64.41 163.63 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.035 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.473 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 98.3 t -144.98 115.67 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 9.5 mt -114.7 113.83 24.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.453 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 78.6 mt-30 -113.92 143.73 44.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.445 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 8.1 p -145.01 -178.97 6.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -139.54 154.87 47.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.451 HD21 ' CD1' ' A' ' 11' ' ' PHE . 11.0 mt -129.88 150.99 50.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -63.17 -24.89 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 t -154.28 140.99 19.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -38.75 118.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.483 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -163.12 151.23 11.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.603 0.716 . . . . 0.0 111.071 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 178.68 4.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.3 m -154.44 163.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.403 ' CD ' HG21 ' A' ' 46' ' ' THR . 30.0 tt0 -134.84 90.18 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.561 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 95.5 m95 -61.06 112.34 2.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.401 ' CD ' HG21 ' A' ' 80' ' ' VAL . 75.9 mtt180 -101.55 -178.07 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.554 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 5.4 tttm -167.63 133.07 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 32.36 52.55 0.42 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.2 m 63.65 51.43 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -156.15 135.45 12.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.403 HG21 ' CD ' ' A' ' 39' ' ' GLU . 99.2 m -85.19 131.83 34.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 mt -99.81 162.83 12.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -142.01 153.03 43.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.477 ' CA ' HD11 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -72.42 141.18 48.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.46 -142.48 3.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -75.42 -52.24 11.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -78.2 -42.3 31.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -94.39 156.94 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -149.65 105.0 3.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.477 HD11 ' CA ' ' A' ' 49' ' ' ASP . 7.5 mp -102.17 98.19 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -98.83 176.79 5.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 40.0 tt0 -171.31 140.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -131.04 77.12 1.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.32 -91.65 1.71 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.3 p -108.13 -24.57 11.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.821 0.343 . . . . 0.0 111.162 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -83.6 155.24 23.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 50.8 m -129.2 175.42 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -162.06 137.26 7.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.516 ' HB2' ' CD1' ' A' ' 40' ' ' TRP . 1.5 tm? -137.67 119.4 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.464 ' N ' HD21 ' A' ' 64' ' ' LEU . 33.2 mt-30 -110.87 138.88 46.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.533 HD11 ' CE2' ' A' ' 77' ' ' TYR . 15.6 mt -118.95 96.12 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -78.91 126.57 30.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.56 48.36 1.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.531 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 mt -64.99 148.19 52.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.8 161.47 26.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.6 mmt -42.05 -39.64 2.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.39 -45.86 82.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -34.01 46.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.7 m -48.83 105.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.07 -146.23 4.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -126.99 130.57 50.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.554 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 21.2 m-85 -113.89 140.69 48.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.7 m -131.9 117.3 18.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.1 t -86.95 104.79 16.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.401 HG21 ' CD ' ' A' ' 41' ' ' ARG . 2.6 t -95.38 129.67 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.572 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 21.1 p -101.99 -23.86 14.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 160.31 -65.87 0.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.448 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -97.88 -40.19 8.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 110.935 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' N ' ' CD ' ' A' ' 84' ' ' GLU . 1.2 pm0 -123.71 171.91 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -160.41 168.76 24.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.2 t -116.59 -175.36 2.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.0 p -159.44 148.39 18.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.465 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . . . -158.97 110.57 2.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 72.4 mmm -57.04 133.89 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.6 tp -114.31 117.35 30.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.0 m -103.87 128.03 51.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.7 t -105.64 89.98 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -60.52 110.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.42 127.44 32.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.9 mt -62.28 141.31 96.25 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.635 0.731 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 106.79 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.34 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 73.7 mt -81.73 -52.0 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 99' ' ' PHE . 12.6 ptpt -98.9 -36.29 9.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.41 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 33.3 t80 -48.14 134.92 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.5 m -131.79 126.23 33.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.87 112.38 1.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -152.47 164.25 37.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -113.12 -170.12 17.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 168.98 20.02 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.8 t -82.88 93.28 7.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 t -106.13 115.9 31.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.471 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 p -73.29 147.28 44.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.877 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -168.71 171.49 8.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.23 -48.87 0.94 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 p -87.66 -51.25 5.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.828 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 p -136.5 132.45 35.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.45 158.2 17.13 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 158.95 55.26 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.61 132.19 45.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.505 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 20.1 ptt180 -113.28 146.51 39.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.58 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 86.4 m-85 -76.92 93.52 3.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.455 ' CG2' ' HB3' ' A' ' 33' ' ' ASN . 42.4 pt -64.91 -31.14 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.406 ' N ' HG13 ' A' ' 12' ' ' ILE . 26.5 mt-10 -124.73 120.99 33.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.64 132.69 34.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 88' ' ' ALA . 24.9 m -51.31 160.02 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -98.07 148.22 23.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -43.62 139.49 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 27' ' ' VAL . 6.8 tp-100 -99.16 144.61 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -157.74 130.18 7.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.31 137.98 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 ptt-85 -62.16 152.17 33.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.07 152.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.56 28.3 73.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.405 ' C ' HD13 ' A' ' 69' ' ' LEU . . . -116.76 -174.9 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.0 m -127.03 107.47 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.9 157.07 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.441 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 31.6 t -140.26 117.62 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.2 mt -113.64 118.93 35.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -119.86 140.99 49.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.7 p -142.22 -179.06 6.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -143.47 159.46 42.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.515 HD23 ' CD1' ' A' ' 11' ' ' PHE . 8.3 mt -134.1 146.3 50.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.505 ' ND2' ' H ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -67.51 -15.12 63.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.3 p -149.42 137.91 20.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.74 113.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -161.76 153.77 16.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.649 0.738 . . . . 0.0 111.095 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 53.7 Cg_endo -69.71 174.16 9.88 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.402 ' CG1' ' O ' ' A' ' 37' ' ' PRO . 32.3 m -157.36 176.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -142.71 128.57 19.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 95.3 m95 -92.52 111.12 22.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.455 ' HD2' ' CG2' ' A' ' 80' ' ' VAL . 56.9 mtt180 -97.8 -179.64 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.568 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 6.2 tmtt? -162.62 135.09 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 34.35 40.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.5 t 74.95 47.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.353 . . . . 0.0 110.835 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 42' ' ' LYS . 2.8 pt-20 -150.61 149.97 30.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.9 m -92.28 124.22 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.9 mt -91.26 165.67 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -141.64 145.68 35.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.479 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -69.63 136.6 51.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.13 -142.5 3.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -72.83 -56.17 5.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -74.1 -45.4 49.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -92.89 154.3 18.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.9 m -147.97 105.02 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.479 HD13 ' CA ' ' A' ' 49' ' ' ASP . 7.6 mp -99.81 103.63 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.8 mtp-105 -108.2 171.9 7.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -172.34 143.91 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -134.65 82.01 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.6 -91.43 1.56 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.2 p -108.86 -24.33 11.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 111.115 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -81.91 152.65 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.6 m -129.79 170.47 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -159.83 137.17 9.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 40' ' ' TRP . 1.2 tm? -142.8 123.56 14.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.472 ' N ' HD22 ' A' ' 64' ' ' LEU . 24.9 mt-30 -114.11 151.76 32.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.551 HD13 ' CE2' ' A' ' 77' ' ' TYR . 20.4 mt -128.76 92.8 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 -77.47 126.55 31.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.64 42.69 2.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 24' ' ' ALA . 44.8 mt -58.7 149.01 27.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.945 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -161.66 159.45 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.6 mmt -39.67 -50.27 2.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.96 -48.04 70.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.44 -38.65 13.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.0 m -46.15 107.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.7 -125.0 0.74 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -145.43 131.01 18.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 38.4 m-85 -115.97 136.32 53.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 86' ' ' THR . 3.5 m -129.97 127.78 40.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.6 t -99.57 103.27 14.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.455 ' CG2' ' HD2' ' A' ' 41' ' ' ARG . 2.1 t -87.57 151.76 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.58 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 25.1 p -127.15 -40.38 1.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -177.48 -69.45 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -102.89 -37.74 7.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -119.4 162.55 18.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.537 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 20.7 ptt-85 -149.77 162.17 40.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 78' ' ' SER . 6.0 t -112.2 167.54 10.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 p -146.34 151.2 37.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.456 ' HB3' ' CG2' ' A' ' 15' ' ' VAL . . . -159.2 111.45 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 81.0 mmm -58.83 134.79 57.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.525 HD23 ' CE1' ' A' ' 77' ' ' TYR . 10.9 tp -114.52 117.59 31.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.5 m -104.82 125.19 50.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.2 t -104.24 93.01 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -62.81 107.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.16 135.44 25.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.8 mt -50.81 154.55 2.36 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.549 0.69 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 103.94 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.736 2.291 . . . . 0.0 112.318 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.3 mt -58.95 -60.57 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -95.99 176.82 5.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -81.62 129.66 34.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.2 p -54.27 127.74 28.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -136.28 139.4 42.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.3 t -118.47 112.15 19.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 178.14 -160.45 26.69 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 97.14 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.726 2.284 . . . . 0.0 112.302 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.7 t -104.95 170.48 7.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.3 m -113.25 91.84 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -58.14 129.21 40.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.378 . . . . 0.0 110.867 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -88.03 -49.75 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.824 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.72 159.35 20.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -103.42 146.93 27.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 m -138.47 140.2 39.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.812 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.35 94.24 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.93 36.39 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.04 141.23 34.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.5 ptt85 -117.99 139.02 51.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 75.9 m-85 -65.45 105.24 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' A' ' 33' ' ' ASN . 35.8 pt -71.05 -31.72 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.422 ' N ' HG13 ' A' ' 12' ' ' ILE . 25.7 mm-40 -129.5 128.7 43.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.64 133.39 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 88' ' ' ALA . 31.0 m -54.69 162.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -99.45 149.24 23.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -45.83 134.04 8.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -90.31 138.07 31.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -151.38 130.67 12.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.8 154.47 9.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -76.51 146.96 38.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -44.58 139.85 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.71 30.55 35.56 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.83 -175.27 2.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.823 0.344 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.2 m -123.9 100.21 6.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' C ' HG22 ' A' ' 27' ' ' VAL . . . -56.55 156.32 6.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.429 HG22 ' C ' ' A' ' 26' ' ' ALA . 81.7 t -144.93 108.46 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.0 mt -108.4 115.17 29.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -113.44 145.0 41.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.411 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 6.1 p -146.12 -177.23 5.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -145.82 149.26 33.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mt -121.99 154.99 36.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.433 ' HB3' ' CG2' ' A' ' 12' ' ' ILE . 27.1 p-10 -69.47 -22.31 63.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.8 t -151.98 150.67 30.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.36 114.89 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.71 151.39 10.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 172.01 13.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.8 m -151.85 173.98 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.482 ' CD ' ' N ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -141.4 126.15 18.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.522 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 95.9 m95 -93.89 110.51 22.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.409 ' HD2' ' CG2' ' A' ' 80' ' ' VAL . 29.2 mtt-85 -100.75 -175.83 3.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.507 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 7.3 tttm -169.63 128.17 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 40.21 49.25 3.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m 64.65 52.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -157.25 139.05 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -87.39 127.57 35.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 mt -93.73 162.72 13.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -137.89 143.83 41.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.474 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -67.74 128.1 35.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.86 -143.15 3.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -72.55 -50.76 23.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -80.12 -40.52 27.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -96.03 147.89 23.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -141.76 105.02 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.474 HD13 ' CA ' ' A' ' 49' ' ' ASP . 7.5 mp -101.92 100.6 10.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -105.09 175.63 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -169.29 142.68 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -131.69 75.9 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.61 -88.02 1.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 p -111.32 -24.98 9.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.145 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -83.93 148.97 26.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.9 m -124.29 172.19 9.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -162.83 130.35 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.522 ' HB2' ' CD1' ' A' ' 40' ' ' TRP . 1.4 tm? -131.59 118.51 20.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.455 ' N ' HD22 ' A' ' 64' ' ' LEU . 21.1 mt-30 -106.73 140.41 39.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.412 HD11 ' CE2' ' A' ' 77' ' ' TYR . 18.2 mt -122.37 106.95 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -83.33 138.21 33.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.21 46.6 4.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 26' ' ' ALA . 42.4 mt -64.19 105.2 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -123.46 171.92 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.112 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.479 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 10.4 mmt -53.53 -33.04 53.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.14 -42.4 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -31.52 69.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.9 m -49.08 102.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.501 ' O ' ' CE ' ' A' ' 89' ' ' MET . . . -159.8 -157.14 8.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -115.54 124.02 49.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.558 ' CE1' HD22 ' A' ' 90' ' ' LEU . 8.8 m-85 -108.07 142.86 37.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -133.17 125.64 29.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.4 t -95.39 107.04 19.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.409 ' CG2' ' HD2' ' A' ' 41' ' ' ARG . 2.0 t -94.96 134.99 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.099 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 25.2 p -119.27 24.51 10.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 128.31 -77.57 0.39 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -107.65 -44.2 4.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -100.94 170.64 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.572 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -166.01 165.33 18.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 87' ' ' SER . 7.8 t -113.39 -175.45 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.414 ' N ' ' OG1' ' A' ' 86' ' ' THR . 1.4 p -158.19 146.32 18.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.443 ' HB3' ' CG2' ' A' ' 15' ' ' VAL . . . -154.82 106.37 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.087 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.501 ' CE ' ' O ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -54.87 122.23 10.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.558 HD22 ' CE1' ' A' ' 77' ' ' TYR . 9.5 tp -102.42 112.84 25.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.8 m -105.35 125.2 50.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.479 ' O ' ' CE ' ' A' ' 71' ' ' MET . 99.0 t -104.04 96.02 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -62.97 110.92 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.66 126.26 26.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.7 mt -56.78 154.57 17.71 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.62 0.724 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 98.93 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 34.7 mt -60.69 -63.21 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 99' ' ' PHE . 1.4 tmmt? -155.83 137.53 14.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 98' ' ' LYS . 56.1 m-85 -37.07 109.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.6 t -109.33 109.21 20.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -173.94 147.89 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.7 m -46.64 -59.58 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.22 -154.43 16.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 100.4 0.82 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.71 2.274 . . . . 0.0 112.351 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.1 t -66.65 124.66 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.1 p -74.11 134.29 42.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.516 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -125.52 99.76 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 m -121.56 124.98 45.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.95 163.02 13.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 p -74.02 127.66 33.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -165.84 150.85 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.95 -118.8 4.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 159.18 54.33 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.709 2.272 . . . . 0.0 112.347 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.24 137.72 49.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -114.45 141.82 47.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 87.0 m-85 -72.54 96.77 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.41 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 45.7 pt -65.35 -32.03 56.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -128.08 116.39 19.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -80.97 134.02 35.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 30' ' ' CYS . 26.0 m -53.24 160.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -101.9 146.51 27.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -40.13 140.87 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -98.32 146.81 25.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -159.16 126.17 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.26 147.32 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.3 mtt-85 -72.67 148.73 44.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -43.86 144.57 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.85 30.15 56.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -123.19 -179.72 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -123.59 106.4 10.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.89 159.68 10.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.7 t -144.73 106.9 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.1 mt -104.21 114.66 29.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -114.65 137.92 51.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.454 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 2.3 p -140.4 178.14 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -141.41 148.99 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.4 HD21 ' CD1' ' A' ' 11' ' ' PHE . 12.6 mt -120.9 154.26 36.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -71.07 -20.16 62.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.6 t -153.11 146.75 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.46 115.51 1.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.68 148.92 9.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 175.84 7.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.262 . . . . 0.0 112.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -151.2 -179.33 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -157.06 105.85 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 76.1 m95 -74.44 131.16 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.454 ' HD2' ' CG2' ' A' ' 80' ' ' VAL . 35.2 mtt-85 -116.88 178.8 4.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.574 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 9.1 tttp -156.75 105.03 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.8 61.7 5.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.3 m 63.33 48.16 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 2.8 pt-20 -153.38 133.31 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.8 m -89.14 129.36 35.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 mt -100.69 161.05 13.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -140.81 151.02 44.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.428 ' CB ' HD11 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -70.26 139.83 52.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.07 -128.34 1.02 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.442 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.69 -69.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.6 mtm-85 -70.27 -35.72 73.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -93.89 150.31 20.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.99 109.78 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.459 ' N ' HD11 ' A' ' 55' ' ' LEU . 6.7 mp -105.89 107.54 18.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -116.61 131.14 57.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -127.54 148.0 50.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -133.59 77.99 1.75 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.48 -85.31 1.42 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.464 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.3 p -114.25 -21.74 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 111.163 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -87.07 145.77 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.8 m -124.71 169.57 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -160.34 130.29 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.454 ' HB2' ' CD1' ' A' ' 40' ' ' TRP . 1.2 tm? -131.98 117.53 18.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.448 ' N ' HD23 ' A' ' 64' ' ' LEU . 18.1 mt-30 -106.32 147.08 29.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.534 HD13 ' CE2' ' A' ' 77' ' ' TYR . 18.7 mt -127.22 98.52 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -78.67 132.28 36.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.03 47.18 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.9 mt -66.46 131.52 46.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.56 168.98 22.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.461 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 12.9 mmt -49.1 -31.65 8.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.26 -44.62 59.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.2 -32.68 49.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.3 m -51.04 113.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.44 -134.13 1.62 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -141.31 120.43 12.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.345 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.574 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 54.6 m-85 -104.05 150.24 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 m -139.7 125.94 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.1 t -94.92 100.28 12.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.454 ' CG2' ' HD2' ' A' ' 41' ' ' ARG . 2.2 t -88.28 145.8 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 15.5 p -132.05 15.73 4.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 131.31 -79.25 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -103.08 -45.36 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -100.58 163.51 12.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.41 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 7.6 ptp180 -162.38 154.06 18.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 87' ' ' SER . 5.7 t -108.96 -176.18 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.438 ' N ' ' OG1' ' A' ' 86' ' ' THR . 2.7 p -160.29 152.85 20.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.72 105.97 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.9 mmm -54.9 127.07 27.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.4 tp -106.49 115.37 30.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.6 m -102.38 125.36 49.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.461 ' O ' ' CE ' ' A' ' 71' ' ' MET . 99.8 t -105.33 95.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -67.6 112.87 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.18 141.64 28.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 48.0 mt -76.51 147.21 78.38 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.579 0.704 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 104.11 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.258 . . . . 0.0 112.353 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.9 mp -67.1 -63.84 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -86.11 115.74 23.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -94.35 87.97 5.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.3 p -64.09 137.72 58.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -114.17 160.74 18.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.5 t -63.28 125.36 23.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.29 71.06 1.01 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.0 m -89.69 115.06 26.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 t -38.32 132.47 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.3 m -70.87 -54.68 10.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -63.21 108.99 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.09 -150.87 18.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 m -151.24 150.75 30.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m -116.45 109.96 17.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.5 -170.17 15.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.53 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 159.05 54.83 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.751 2.301 . . . . 0.0 112.344 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.31 151.56 19.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -105.8 132.16 52.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 97.3 m-85 -62.84 103.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.2 pt -72.36 -29.74 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.142 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -124.66 118.04 25.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.71 135.03 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.403 ' CG2' ' HB1' ' A' ' 88' ' ' ALA . 30.4 m -54.71 162.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -101.02 152.77 20.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -46.79 148.82 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 27' ' ' VAL . 6.5 tp-100 -111.04 135.93 50.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -150.58 122.17 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.31 148.52 20.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 mtt85 -70.43 143.92 51.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -39.72 154.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.04 22.72 74.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.09 -177.79 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.883 0.373 . . . . 0.0 111.072 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 m -123.33 108.85 13.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.84 154.97 40.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.074 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.467 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 92.4 t -137.88 120.89 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 mt -114.69 111.79 21.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -114.51 142.98 45.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 p -144.5 -178.8 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -140.5 155.29 46.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.52 HD21 ' CD1' ' A' ' 11' ' ' PHE . 8.0 mt -131.24 148.34 52.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -14.9 62.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -161.52 146.08 13.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.42 118.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.468 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -159.99 149.86 14.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.566 0.698 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 176.86 6.17 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.368 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.1 m -151.51 161.03 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.425 ' CG ' HG23 ' A' ' 46' ' ' THR . 38.4 tt0 -132.13 80.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 99.4 m95 -49.81 111.66 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -99.59 -174.58 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.561 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 8.8 tmtt? -170.97 128.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.95 40.96 0.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m 75.01 45.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 42' ' ' LYS . 2.8 pt-20 -152.0 132.11 13.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.425 HG23 ' CG ' ' A' ' 39' ' ' GLU . 26.8 m -77.49 131.63 38.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.3 mt -105.09 168.81 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -147.24 149.67 33.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.78 137.11 56.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.45 -118.93 0.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.32 -62.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -70.14 -24.93 63.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -114.57 141.31 47.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.62 100.11 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.469 HD21 ' CD2' ' A' ' 64' ' ' LEU . 8.0 mt -98.28 121.53 40.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -130.11 119.28 22.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 42.0 tt0 -110.88 144.31 40.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -133.4 74.12 1.55 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.41 -86.4 1.46 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.7 p -113.77 -23.66 9.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.857 0.361 . . . . 0.0 111.128 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -85.97 143.77 27.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 61.0 m -121.25 169.04 10.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -161.55 132.46 5.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 0.3 OUTLIER -136.65 116.73 13.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -103.23 145.65 29.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.417 HD11 ' CE2' ' A' ' 77' ' ' TYR . 21.0 mt -123.27 121.19 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -100.93 119.42 38.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.52 42.89 1.1 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.9 mt -61.31 111.72 1.87 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -134.91 159.09 42.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.46 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 11.3 mmt -38.76 -31.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.59 67.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 70' ' ' ALA . 9.4 m-20 -54.33 -35.19 62.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.7 m -47.0 104.44 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.95 -130.77 1.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.492 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -146.9 112.53 5.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.561 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 10.5 m-85 -95.98 145.22 25.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 m -135.01 126.34 28.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 t -95.71 100.46 12.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.439 ' HA ' ' CB ' ' A' ' 85' ' ' ARG . 2.1 t -93.32 138.15 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -110.1 -52.81 2.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.23 -65.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -112.22 -33.12 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -116.08 173.97 6.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.565 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -166.54 172.05 11.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 87' ' ' SER . 7.1 t -118.38 -177.35 3.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.406 ' N ' ' OG1' ' A' ' 86' ' ' THR . 0.6 OUTLIER -161.36 145.41 13.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.403 ' HB1' ' CG2' ' A' ' 15' ' ' VAL . . . -151.1 105.03 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.055 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.7 tpp -52.68 127.74 24.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.3 tp -108.09 109.76 21.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.8 m -96.32 124.24 40.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.46 ' O ' ' CE ' ' A' ' 71' ' ' MET . 86.0 t -103.38 95.48 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 -68.36 111.3 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.19 122.66 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.4 mt -43.85 152.82 0.43 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.619 0.723 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 101.25 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.272 . . . . 0.0 112.348 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.3 mt -51.19 134.27 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -103.45 30.15 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -112.28 95.2 5.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.6 p -103.93 92.76 4.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.138 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -99.76 134.19 43.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.1 m -68.69 -54.28 17.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.69 -95.35 0.23 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 175.38 8.14 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.267 . . . . 0.0 112.388 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.5 m -95.12 146.62 24.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 27.8 t -110.47 124.99 52.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.436 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.7 p -163.57 158.97 21.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -80.4 -44.34 19.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.8 54.72 0.59 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 m -41.5 132.76 2.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.368 . . . . 0.0 110.9 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -58.43 -53.59 56.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.34 -164.6 12.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 163.18 39.28 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.314 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.21 141.92 28.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.468 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 16.6 ptt180 -118.44 141.31 48.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 92.3 m-85 -69.11 102.82 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.9 pt -71.26 -28.83 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -131.13 123.68 29.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -84.16 129.06 34.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 88' ' ' ALA . 32.8 m -47.0 159.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -94.79 155.51 16.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -50.96 127.42 18.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.509 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -87.96 136.14 33.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -154.92 125.56 6.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -156.14 153.74 29.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -75.97 147.28 38.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -48.26 133.2 15.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.18 28.87 16.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.438 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -127.28 -179.79 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 111.066 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.5 m -121.75 105.31 10.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.1 159.27 23.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.509 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 93.0 t -140.71 105.9 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.519 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 6.9 mt -100.75 113.13 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -114.3 144.03 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.0 p -140.61 -178.98 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -139.0 146.91 41.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.1 mt -122.81 153.3 39.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.468 ' ND2' ' HG2' ' A' ' 10' ' ' ARG . 24.5 p-10 -67.57 -24.05 65.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -152.81 151.96 31.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.94 115.72 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.409 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -164.63 153.13 10.97 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.579 0.705 . . . . 0.0 111.099 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 173.26 11.18 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.358 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 m -155.38 171.88 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.499 ' CD ' ' N ' ' A' ' 40' ' ' TRP . 1.6 tm-20 -138.82 130.53 27.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.519 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 92.5 m95 -97.29 110.27 22.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.419 ' CG ' ' OE1' ' A' ' 39' ' ' GLU . 63.2 mtm180 -94.22 -174.26 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.547 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 16.4 tttt -167.26 125.69 1.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 37.74 42.75 1.1 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 t 74.96 46.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -152.33 133.05 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.413 HG21 ' CG ' ' A' ' 39' ' ' GLU . 81.0 m -81.94 120.31 25.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.3 mt -88.51 163.63 15.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -136.68 146.71 46.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.471 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -69.24 129.56 40.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.02 -139.61 2.71 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.95 -55.29 6.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -75.33 -42.56 54.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -94.62 149.98 20.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -145.95 105.06 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 49' ' ' ASP . 5.8 mp -98.54 105.03 17.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -105.92 178.84 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 43.7 tt0 -175.04 143.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -133.82 72.78 1.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.52 -91.73 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 p -108.32 -23.75 11.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.821 0.343 . . . . 0.0 111.115 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -84.41 149.41 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 35.7 m -123.87 172.53 8.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -162.64 138.27 7.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.509 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 1.2 tm? -140.55 116.2 10.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.436 ' N ' HD21 ' A' ' 64' ' ' LEU . 20.0 mt-30 -101.05 143.4 31.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.569 HD12 ' CE2' ' A' ' 77' ' ' TYR . 32.4 mt -122.56 95.89 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.2 mtp85 -75.89 122.92 24.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.24 56.83 0.82 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.0 mt -73.78 114.94 12.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.338 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.84 162.28 33.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.8 mmt -42.04 -41.32 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.59 98.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.4 -29.34 64.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.9 m -52.74 104.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.58 -137.98 2.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -133.95 132.34 40.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.569 ' CE2' HD12 ' A' ' 66' ' ' ILE . 16.3 m-85 -115.6 140.52 49.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.4 m -133.27 125.89 30.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 9.1 t -95.04 113.08 24.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 t -101.63 132.93 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 19.4 p -121.0 28.4 7.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.93 -82.7 0.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -103.04 -48.0 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 110.931 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -93.23 168.94 10.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.569 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 2.9 ptp180 -167.44 159.49 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.7 t -111.37 -178.74 3.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.1 147.39 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.456 ' HB3' ' CG2' ' A' ' 15' ' ' VAL . . . -162.39 110.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.074 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.22 127.79 33.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.8 tp -100.95 113.77 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 35.2 m -98.94 124.03 43.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.3 t -105.15 88.49 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -57.29 108.52 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.78 129.03 40.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.4 mt -59.16 153.03 48.82 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 97' ' ' ILE . 53.5 Cg_endo -69.82 95.2 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 96' ' ' PRO . 50.2 mm -34.02 -57.03 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 99' ' ' PHE . 17.4 tptp -118.95 153.57 34.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.426 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 13.8 p90 -104.91 151.21 24.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.826 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.5 p -117.35 128.72 55.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -96.71 173.2 7.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.1 t -57.02 -58.91 6.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 161.82 144.78 4.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 150.29 67.93 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.627 2.218 . . . . 0.0 112.362 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.1 m -97.81 124.36 42.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.1 t 62.18 41.96 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.541 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -75.39 166.7 23.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 110.878 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.9 t -40.32 124.57 1.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.81 54.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 p -108.25 133.21 52.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.829 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -88.93 98.63 11.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.79 -165.23 38.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HG3' ' NE2' ' A' ' 83' ' ' GLN . 53.4 Cg_endo -69.74 159.85 51.89 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 2.236 . . . . 0.0 112.354 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' A' ' 36' ' ' ALA . . . -95.34 145.11 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 ptt-85 -115.14 127.06 55.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.556 ' CD1' HD21 ' A' ' 32' ' ' LEU . 89.7 m-85 -57.63 101.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.406 HG13 ' N ' ' A' ' 13' ' ' GLU . 46.3 pt -68.78 -31.7 51.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.406 ' N ' HG13 ' A' ' 12' ' ' ILE . 4.5 mm-40 -125.68 132.53 52.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.59 125.99 39.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.471 HG21 ' CB ' ' A' ' 88' ' ' ALA . 19.3 m -44.77 159.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -97.76 148.78 23.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -42.87 157.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.411 ' HB3' ' CD1' ' A' ' 90' ' ' LEU . 5.6 tp-100 -116.86 115.6 25.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -124.85 103.99 8.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.21 153.33 43.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.043 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -86.27 156.49 20.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -52.21 133.12 34.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.03 27.54 15.99 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -125.37 179.84 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.8 m -120.03 105.63 11.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.122 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.35 154.98 33.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.6 t -139.95 114.57 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.508 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 11.6 mt -114.73 114.21 25.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -116.72 142.79 46.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 3.3 p -140.63 171.74 13.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -132.32 154.54 49.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.556 HD21 ' CD1' ' A' ' 11' ' ' PHE . 9.1 mt -131.09 148.48 52.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -20.42 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.3 t -156.58 141.53 17.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -39.44 109.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 9' ' ' ALA . . . -149.07 149.74 30.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 111.089 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 176.37 6.81 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.736 2.291 . . . . 0.0 112.343 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 m -154.72 159.58 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -135.04 85.65 2.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.572 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 97.5 m95 -53.03 118.76 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -106.92 -178.84 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.553 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 5.9 tmtt? -167.03 131.32 1.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.95 52.3 0.67 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m 64.67 52.76 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 110.834 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 42' ' ' LYS . 3.3 pt-20 -158.28 154.96 28.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.8 m -96.34 134.59 39.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.128 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.3 mt -100.22 163.52 12.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.9 mmm-85 -147.19 159.76 43.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.474 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -80.37 147.09 31.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.9 -131.76 1.37 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.498 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -88.36 -44.66 10.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -87.77 -38.1 16.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -92.72 158.54 15.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -151.01 105.07 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.805 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.474 HD13 ' CA ' ' A' ' 49' ' ' ASP . 6.6 mp -103.31 103.48 13.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -110.5 174.83 5.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -170.34 137.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -123.02 75.19 1.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.01 -85.46 1.57 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 54.8 p -111.87 -23.68 10.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.379 . . . . 0.0 111.155 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -85.39 141.22 30.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.0 m -117.44 172.07 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -160.61 136.87 8.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 40' ' ' TRP . 1.2 tm? -140.09 112.95 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -103.28 142.6 33.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.547 HD12 ' CE2' ' A' ' 77' ' ' TYR . 18.2 mt -123.26 97.51 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -78.74 131.6 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.44 50.97 2.63 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.1 mt -62.78 149.36 44.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -158.26 170.93 21.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.0 mmt -53.45 -51.12 63.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.93 -44.7 50.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -55.23 -27.45 46.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.6 m -55.71 102.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.87 -128.33 0.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -138.91 129.02 25.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.566 ' CE1' HD21 ' A' ' 90' ' ' LEU . 27.5 m-85 -112.36 137.24 50.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 m -134.68 130.92 37.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 t -99.88 109.16 21.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 t -98.36 138.58 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.4 -43.54 3.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.42 -64.06 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.463 ' NE2' ' HG3' ' A' ' 8' ' ' PRO . 37.5 mt-30 -106.14 -39.09 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -115.84 169.55 9.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.55 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 8.8 ptp180 -160.22 166.84 28.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 87' ' ' SER . 5.4 t -114.96 -178.0 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.164 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.424 ' N ' ' OG1' ' A' ' 86' ' ' THR . 0.9 OUTLIER -156.65 148.11 22.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.471 ' CB ' HG21 ' A' ' 15' ' ' VAL . . . -160.2 106.88 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.7 tpp -56.97 137.96 54.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.566 HD21 ' CE1' ' A' ' 77' ' ' TYR . 6.9 tp -114.27 103.13 10.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.2 m -90.36 117.37 29.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.75 86.79 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -58.62 104.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.89 139.39 17.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.8 mt -54.64 144.42 44.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.581 0.705 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 100.96 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.4 mp -41.16 -53.32 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -124.08 131.45 53.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -90.84 119.08 30.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 101' ' ' GLU . 47.7 m -84.35 141.33 30.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.423 ' N ' HG21 ' A' ' 100' ' ' THR . 10.9 pt-20 -138.43 141.17 39.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.0 t -158.06 138.69 12.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.836 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -115.8 -155.21 10.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 139.3 39.98 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.8 t -168.14 168.08 11.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 m -83.02 115.95 22.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m 44.78 42.72 6.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.1 p -67.46 -41.61 84.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.29 105.63 1.04 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.6 p -92.65 -47.13 7.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 t -60.37 -46.87 88.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.58 153.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.47 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 164.76 33.34 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.45 141.07 51.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 -120.93 136.67 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.593 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 92.3 m-85 -63.65 101.24 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.438 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 45.9 pt -70.63 -31.37 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -124.93 117.17 23.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.42 136.89 35.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 30' ' ' CYS . 22.3 m -56.47 165.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -106.73 150.91 25.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -42.53 152.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.435 ' CG ' HD13 ' A' ' 90' ' ' LEU . 5.8 tp-100 -114.33 113.73 24.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -123.88 103.05 8.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.7 149.47 47.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -77.05 154.35 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -53.09 140.76 24.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.03 28.85 39.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -125.41 -175.6 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 111.072 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.5 m -123.78 107.43 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.35 168.67 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.416 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 24.0 t -149.92 112.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.179 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mt -112.51 108.49 17.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -110.99 139.61 46.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.438 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 8.0 p -142.34 168.6 19.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -130.29 153.43 48.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.43 HD23 ' CD1' ' A' ' 11' ' ' PHE . 12.0 mt -123.91 153.26 41.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.438 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -68.61 -20.8 64.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 t -156.6 145.73 20.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.83 117.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.424 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -164.95 151.45 9.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 175.76 7.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m -151.3 171.39 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -146.56 106.21 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.517 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 86.8 m95 -73.74 120.97 20.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -112.4 -178.82 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.575 ' HD2' ' CE1' ' A' ' 77' ' ' TYR . 13.1 tttp -162.22 128.82 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 32.61 55.48 0.47 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.45 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m 64.53 52.7 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -154.99 138.3 15.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.0 m -89.66 129.56 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.7 mt -100.32 171.74 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 4.9 mmm180 -152.82 146.75 25.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.15 137.18 57.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.75 -128.07 0.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.14 -55.81 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.9 mtm-85 -75.29 -44.5 45.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -92.17 139.94 30.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.7 97.63 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.821 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.466 HD21 ' CD2' ' A' ' 64' ' ' LEU . 4.6 mt -94.47 121.69 36.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -129.79 117.94 21.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 33.0 tt0 -112.39 142.55 44.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -134.58 76.07 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.18 -90.72 1.57 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.436 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.4 p -110.57 -22.94 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -86.65 148.1 25.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 64.9 m -129.23 170.3 13.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -162.49 134.06 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.517 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 0.4 OUTLIER -135.83 110.45 8.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -96.7 147.57 23.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.422 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 42.7 mt -125.72 100.92 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -85.7 123.37 31.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.35 47.18 1.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.9 mt -65.16 142.72 58.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.754 0.311 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.24 158.06 23.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.9 mmt -42.44 -31.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.61 -44.78 61.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.41 -32.9 51.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.2 m -47.08 117.12 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -168.15 -138.49 2.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -137.19 118.56 14.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.354 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.575 ' CE1' ' HD2' ' A' ' 42' ' ' LYS . 86.3 m-85 -100.2 139.3 36.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -132.62 121.11 22.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.0 t -93.61 104.68 16.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.0 t -93.38 135.11 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.593 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 19.2 p -107.55 -39.69 5.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 179.05 -64.31 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -103.28 -39.52 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -118.63 170.21 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.553 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 3.6 ptt-85 -158.27 166.03 33.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.5 t -116.64 -176.86 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.06 149.34 21.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -159.29 105.06 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.9 tpp -56.94 129.38 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.435 HD13 ' CG ' ' A' ' 18' ' ' GLN . 9.4 tp -104.97 100.41 10.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 48.7 m -88.01 111.51 21.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 81.6 t -88.07 89.18 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -56.32 110.87 0.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.66 135.09 57.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.4 mt -68.47 151.47 97.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.6 0.714 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 104.78 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.316 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 98' ' ' LYS . 73.4 mt -63.86 136.98 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.45 ' N ' HG21 ' A' ' 97' ' ' ILE . 14.8 tppt? -51.4 -53.71 33.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.0 t80 70.77 45.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 101' ' ' GLU . 5.5 t -54.66 -28.05 44.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 100' ' ' THR . 4.9 tp10 34.66 47.37 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 t -84.91 -56.06 3.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -121.17 144.14 16.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 100.98 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.377 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.6 m -65.51 160.03 23.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 t -70.99 154.66 41.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.511 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -91.68 115.8 28.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.886 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -90.07 157.48 17.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.856 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.97 96.37 1.71 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.531 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 m -120.67 41.4 3.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.875 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 t -133.56 129.27 36.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.25 -103.29 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.53 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 159.38 53.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.274 . . . . 0.0 112.311 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.56 134.61 55.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -114.14 134.38 54.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 59.0 m-85 -61.55 93.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 46.4 pt -60.58 -27.6 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -129.85 137.14 50.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.0 126.8 50.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.0 m -47.9 166.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -176.04 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -69.46 137.46 52.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -100.81 131.0 46.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -141.98 130.36 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -162.96 144.92 10.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -73.03 144.29 47.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.412 ' O ' ' CD1' ' A' ' 95' ' ' LEU . 34.7 mt-10 -40.55 139.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.23 25.63 50.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.7 -177.09 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.4 m -125.83 101.57 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.88 160.87 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.3 t -145.64 107.02 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.7 mt -104.55 117.02 33.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -113.71 142.16 46.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 p -146.81 177.19 9.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -135.95 159.45 41.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.7 mt -127.44 152.99 46.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.463 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -73.41 -1.99 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -174.45 150.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.07 113.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.461 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -167.72 150.2 5.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 176.51 6.71 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.1 m -155.95 -176.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -151.54 125.64 9.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.563 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 89.7 m95 -90.27 115.51 27.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -101.57 -173.9 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.523 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 3.4 tttm -170.28 126.0 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.77 54.09 1.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.49 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m 64.26 49.87 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' CD ' ' HB3' ' A' ' 42' ' ' LYS . 2.1 pt-20 -152.02 139.09 19.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.4 m -92.38 120.39 32.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.7 mt -88.12 164.96 15.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -143.01 150.05 39.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.469 ' CA ' HD12 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -69.84 128.03 34.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -158.15 -143.0 3.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -73.66 -51.17 17.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -81.1 -40.91 23.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -95.44 151.45 19.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.19 105.44 3.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.469 HD12 ' CA ' ' A' ' 49' ' ' ASP . 6.6 mp -102.48 102.71 13.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -108.04 175.98 5.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 29.8 tt0 -170.28 145.66 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.417 ' N ' ' HG2' ' A' ' 57' ' ' GLN . 1.6 t70 -133.03 74.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.48 -88.28 1.57 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.0 p -111.31 -25.0 9.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 111.118 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -83.44 155.64 23.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.5 m -131.31 173.31 11.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -163.4 130.19 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.563 ' HB2' ' CD1' ' A' ' 40' ' ' TRP . 1.1 tm? -129.44 118.88 22.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.415 ' N ' HD21 ' A' ' 64' ' ' LEU . 33.1 mt-30 -105.63 139.52 40.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.483 HD11 ' CE2' ' A' ' 77' ' ' TYR . 27.9 mt -121.19 95.8 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -81.19 128.82 34.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.18 43.89 2.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.7 143.0 56.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 110.932 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -160.56 160.16 31.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.8 mmt -37.69 -45.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.39 -43.17 88.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER -56.03 -31.85 63.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.8 m -50.0 104.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.09 -141.35 3.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.71 142.4 50.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.523 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 21.1 m-85 -125.08 139.76 53.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 m -130.96 121.66 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.407 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 5.6 t -92.32 106.06 18.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 t -93.07 142.24 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 25.9 p -118.84 -31.38 4.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 174.68 -70.95 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -104.66 -33.55 8.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -117.24 162.87 17.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.522 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 4.8 ptp180 -158.8 157.35 31.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.8 t -104.41 -177.58 3.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 p -161.3 143.36 11.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -164.29 123.06 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.064 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 19.6 mtp -67.64 147.73 52.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.477 HD23 ' CE1' ' A' ' 77' ' ' TYR . 4.7 tp -119.49 108.27 14.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 64.5 m -89.94 127.38 36.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.6 t -108.71 86.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -57.38 103.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.403 ' HA ' ' CD ' ' A' ' 22' ' ' GLU . . . -49.89 143.33 7.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.412 ' CD1' ' O ' ' A' ' 22' ' ' GLU . 15.2 mt -75.08 149.53 85.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 104.9 1.39 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.64 2.227 . . . . 0.0 112.354 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 65.0 mt -63.6 -64.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.29 131.05 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -43.43 109.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.8 m -57.38 121.98 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.75 81.58 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.9 t -142.98 147.89 35.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -103.52 95.36 1.2 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -6.48 18.69 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.367 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.4 m -81.48 174.04 11.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.1 t -47.77 -55.05 10.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t -106.45 106.41 16.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 110.841 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 m -126.67 113.12 16.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.31 147.07 18.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -134.41 147.03 50.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -89.85 41.91 1.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.17 166.78 0.55 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 159.24 54.13 Favored 'Trans proline' 0 C--O 1.23 0.125 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.34 134.89 46.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -118.92 126.39 51.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 97.4 m-85 -50.16 96.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.416 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 44.3 pt -64.37 -31.49 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 12' ' ' ILE . 22.7 mm-40 -122.88 128.9 50.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -90.12 134.67 34.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.449 ' CG2' ' HB2' ' A' ' 88' ' ' ALA . 33.2 m -55.59 163.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -102.26 150.73 23.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -42.16 161.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 27' ' ' VAL . 6.5 tp-100 -126.07 132.01 52.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -146.39 134.72 21.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.11 152.66 3.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -78.61 151.23 32.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' O ' ' CD1' ' A' ' 95' ' ' LEU . 13.8 mt-10 -44.44 144.88 0.94 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.55 28.92 56.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.415 ' C ' HD12 ' A' ' 69' ' ' LEU . . . -118.54 -174.83 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.898 0.38 . . . . 0.0 111.073 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.5 m -128.94 106.77 9.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.74 154.93 41.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.051 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.427 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 95.3 t -138.66 118.96 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 mt -117.7 112.76 20.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.414 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 78.4 mt-30 -114.1 145.04 42.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.432 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 3.9 p -147.28 169.47 19.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -131.58 148.66 52.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.523 HD22 ' CD1' ' A' ' 11' ' ' PHE . 12.1 mt -120.55 147.43 45.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.416 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.2 t30 -58.81 -22.92 59.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' ALA . 12.1 t -162.46 144.93 11.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' SER . . . -34.06 117.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.499 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -159.83 148.89 14.05 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.577 0.703 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 178.49 4.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.645 2.23 . . . . 0.0 112.308 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.8 m -156.99 159.8 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.419 ' CD ' HG23 ' A' ' 46' ' ' THR . 32.4 tt0 -134.7 85.97 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 99.3 m95 -53.21 113.96 1.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -102.71 -176.85 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.485 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 34.2 tttt -168.83 130.6 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.7 45.26 0.36 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.537 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m 70.82 50.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 110.856 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -156.63 130.35 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.419 HG23 ' CD ' ' A' ' 39' ' ' GLU . 53.5 m -75.82 134.24 40.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.7 mt -106.78 165.27 11.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -147.29 150.36 34.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -64.11 137.91 58.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.68 -126.98 0.87 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -88.47 -49.21 7.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.812 0.339 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -82.48 -41.2 20.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -94.34 139.99 30.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.43 96.82 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.462 HD22 ' CD2' ' A' ' 64' ' ' LEU . 5.8 mt -93.56 120.64 34.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -129.59 112.52 13.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 35.7 tt0 -107.19 140.5 39.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -128.88 78.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.84 -89.18 1.25 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.0 p -109.34 -25.85 10.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 111.147 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -83.34 155.04 23.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.7 m -133.16 173.3 11.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -165.1 138.64 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.525 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 0.4 OUTLIER -141.69 114.3 8.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -102.5 146.52 28.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.4 mt -123.16 99.64 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -80.02 123.04 27.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.41 54.86 1.13 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.415 HD12 ' C ' ' A' ' 24' ' ' ALA . 43.4 mt -67.43 112.27 4.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -122.95 146.9 47.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 77.0 mmm -38.23 -39.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.63 98.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 70' ' ' ALA . 87.8 m-20 -54.53 -36.82 64.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.5 m -39.71 114.11 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.74 -140.85 2.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.445 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -135.94 114.66 11.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.542 ' CE1' HD23 ' A' ' 90' ' ' LEU . 22.7 m-85 -97.22 140.81 31.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -133.29 124.55 27.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.0 t -94.93 100.19 12.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.466 ' HA ' ' CB ' ' A' ' 85' ' ' ARG . 2.4 t -94.01 137.82 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.63 -53.66 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -161.64 -61.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -108.9 -38.03 5.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.741 0.305 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -117.3 172.58 7.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -165.27 171.05 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.2 t -123.94 179.67 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 p -158.07 155.74 29.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.449 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . . . -157.66 105.23 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 71.1 mmm -52.28 126.96 20.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.542 HD23 ' CE1' ' A' ' 77' ' ' TYR . 6.5 tp -108.22 115.7 30.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 86.7 m -102.15 126.14 49.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.4 t -107.44 96.95 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -70.6 113.93 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.54 147.7 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.441 ' CD1' ' O ' ' A' ' 22' ' ' GLU . 36.1 mt -85.66 143.57 38.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.565 0.698 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 106.58 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 98' ' ' LYS . 51.1 mt -82.98 138.61 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.448 ' N ' HG22 ' A' ' 97' ' ' ILE . 16.1 mmtp -89.41 100.66 13.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -122.28 173.6 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.3 t -134.73 148.21 50.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -141.36 155.15 45.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.8 t -104.6 126.44 51.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -38.92 108.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 157.22 61.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.649 2.233 . . . . 0.0 112.36 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.2 t -81.26 46.51 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.1 t -155.92 110.5 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -121.02 110.76 16.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.932 0.396 . . . . 0.0 110.87 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -150.9 132.58 14.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.96 75.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 t -167.89 124.47 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 m -63.24 104.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.87 -169.56 11.96 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 160.44 49.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.33 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.41 133.53 55.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.423 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 14.3 ptt-85 -108.67 148.44 30.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 73.5 m-85 -74.08 93.1 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 13' ' ' GLU . 40.3 pt -60.1 -32.82 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.422 ' N ' HG13 ' A' ' 12' ' ' ILE . 13.9 mm-40 -124.67 134.06 53.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.401 ' O ' ' NZ ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -95.62 129.39 42.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.467 ' CG2' ' HB1' ' A' ' 88' ' ' ALA . 34.0 m -47.33 162.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' NZ ' ' O ' ' A' ' 14' ' ' ASP . 28.8 mmtm -98.64 152.97 19.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -47.65 127.2 11.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.504 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -88.68 133.92 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -155.37 125.56 6.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -156.0 150.42 25.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.9 ptt85 -73.01 151.89 41.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -51.13 137.55 21.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.14 32.86 16.01 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -132.04 -178.28 4.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.8 m -125.4 103.26 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' C ' HG21 ' A' ' 27' ' ' VAL . . . -58.59 162.04 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.504 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 82.1 t -143.22 106.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.437 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 7.7 mt -102.11 117.75 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.432 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 75.6 mt-30 -116.68 145.51 43.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 p -146.7 174.37 11.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -134.71 160.5 37.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.485 HD21 ' CD1' ' A' ' 11' ' ' PHE . 14.8 mt -133.4 153.25 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -66.61 -24.42 66.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 t -152.95 152.25 31.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.24 111.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.509 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -158.87 151.03 17.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 111.083 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 176.04 7.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.8 m -150.31 176.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 80' ' ' VAL . 9.0 tt0 -150.5 105.29 3.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 83.7 m95 -72.82 128.13 34.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -111.68 169.54 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -134.98 92.71 2.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.38 -82.23 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.5 p -135.01 30.21 3.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.845 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -141.2 173.77 11.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.1 m -114.88 140.59 48.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.8 mt -105.73 165.6 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -151.43 143.25 23.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -52.73 120.93 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.31 -128.21 1.54 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -88.05 -56.91 3.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -74.52 -42.52 58.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -89.94 138.19 31.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.13 97.08 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.863 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.463 HD23 ' CD2' ' A' ' 64' ' ' LEU . 6.0 mt -93.6 119.29 32.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -129.49 109.63 11.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 24.4 tt0 -106.68 146.09 31.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.444 ' N ' ' HG2' ' A' ' 57' ' ' GLN . 8.0 t0 -133.86 71.76 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.19 -89.93 1.63 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.0 p -109.83 -23.75 11.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.117 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -87.28 151.1 23.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 58.3 m -128.8 175.21 8.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -166.92 123.35 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 0.4 OUTLIER -128.0 117.32 21.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -106.25 149.28 27.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.565 HD11 ' CE2' ' A' ' 77' ' ' TYR . 27.2 mt -124.12 95.51 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -75.53 126.43 30.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.403 ' O ' ' OD2' ' A' ' 73' ' ' ASP . . . 97.88 53.87 1.26 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.518 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.1 mt -69.66 143.9 53.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.03 171.39 17.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.407 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 12.7 mmt -53.48 -38.89 64.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.99 -43.36 88.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.403 ' OD2' ' O ' ' A' ' 68' ' ' GLY . 75.9 m-20 -53.98 -36.49 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.0 m -43.54 105.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.31 -144.76 4.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -131.88 133.01 44.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.565 ' CE2' HD11 ' A' ' 66' ' ' ILE . 15.4 m-85 -117.94 142.86 46.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -134.36 119.62 18.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.554 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 2.3 t -87.37 99.01 11.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.841 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 39' ' ' GLU . 2.3 t -87.05 134.0 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 25.4 p -111.03 -37.52 5.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -179.02 -77.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -96.51 -31.71 12.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.423 ' CG ' ' HA ' ' A' ' 10' ' ' ARG . 1.1 pm0 -121.24 167.88 12.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.53 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 7.2 ptp180 -159.96 158.74 31.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.8 t -108.11 176.89 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 p -155.34 149.1 25.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.467 ' HB1' ' CG2' ' A' ' 15' ' ' VAL . . . -158.52 115.46 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 70.2 mmm -62.74 121.85 14.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.527 HD23 ' CE1' ' A' ' 77' ' ' TYR . 5.4 tp -98.06 110.73 23.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 73.1 m -100.26 129.04 46.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.407 ' O ' ' CE ' ' A' ' 71' ' ' MET . 85.3 t -107.65 96.46 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -67.81 112.87 5.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.3 132.27 53.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.7 mt -43.34 148.14 0.68 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 103.29 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.682 2.254 . . . . 0.0 112.318 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 98' ' ' LYS . 27.6 mm -64.11 139.03 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.455 ' N ' HG21 ' A' ' 97' ' ' ILE . 21.6 mtmt -80.66 42.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -136.81 105.31 5.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.2 t -121.61 134.72 55.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -111.24 -56.98 2.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.4 m -114.71 157.74 22.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.9 -74.45 1.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.517 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 133.52 25.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.0 t -62.82 -44.53 95.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.7 p -73.1 118.42 16.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.4 p -161.09 177.26 10.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -157.45 169.15 25.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.55 127.23 5.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -92.13 167.69 11.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -60.57 131.14 49.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.96 121.24 0.57 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 167.32 24.79 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.94 141.41 34.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -118.13 133.15 56.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.593 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 81.7 m-85 -66.82 103.94 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 45.5 pt -70.59 -32.05 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.404 ' N ' HG13 ' A' ' 12' ' ' ILE . 11.2 mm-40 -128.3 131.62 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -91.69 135.95 33.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 29' ' ' GLN . 31.5 m -56.0 163.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -102.93 147.12 27.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -39.51 152.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -114.42 131.62 56.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -148.45 128.39 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.01 150.42 9.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -73.85 148.3 42.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' CG ' HG11 ' A' ' 92' ' ' VAL . 11.9 mt-10 -44.27 146.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.84 30.95 55.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.29 -179.62 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 111.093 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.5 m -121.87 102.38 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.47 169.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -153.95 108.93 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mt -111.79 107.96 17.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.444 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 77.0 mt-30 -108.74 145.12 35.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.435 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 7.1 p -147.1 173.18 12.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' CD ' HD12 ' A' ' 12' ' ' ILE . 23.6 tt0 -134.03 150.07 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.1 mt -120.0 150.13 41.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.477 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -67.91 -20.42 65.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.8 t -153.29 145.43 23.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.03 115.45 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.6 151.38 7.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.534 0.683 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 170.06 17.55 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.633 2.222 . . . . 0.0 112.345 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.9 m -148.12 178.44 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -145.5 124.97 13.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.54 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 84.5 m95 -91.58 113.07 25.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.419 ' HD2' ' CG2' ' A' ' 80' ' ' VAL . 34.3 mtt-85 -100.64 -179.06 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.566 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 5.3 tttm -171.42 113.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.06 41.81 60.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 t 71.33 49.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' CG ' HD23 ' A' ' 47' ' ' LEU . 3.3 pt-20 -152.5 128.69 10.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.3 m -79.13 124.6 28.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.408 HD23 ' CG ' ' A' ' 45' ' ' GLU . 13.7 mt -99.33 160.37 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -138.43 169.65 17.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.486 ' N ' HD11 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -83.18 128.22 34.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.09 -129.83 1.17 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -84.65 -56.03 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 mtm105 -76.86 -42.06 41.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -93.77 141.36 28.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.28 101.75 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.486 HD11 ' N ' ' A' ' 49' ' ' ASP . 2.1 mt -97.82 118.85 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -117.92 177.69 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.794 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -171.55 135.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -125.47 68.48 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.12 -85.05 1.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.2 p -112.58 -23.06 10.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -85.96 149.09 25.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.2 m -128.55 166.48 18.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -153.19 152.32 31.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.54 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 0.6 OUTLIER -151.58 111.56 4.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -97.19 149.52 21.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.517 HD11 ' CE2' ' A' ' 77' ' ' TYR . 26.6 mt -127.56 93.42 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -75.94 134.85 40.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.11 42.83 4.24 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.92 111.41 1.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 110.929 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.19 162.63 27.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 11.6 mmt -43.18 -34.39 1.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.73 -43.55 72.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.15 -33.2 62.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.0 m -46.58 105.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.33 -153.72 7.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -123.0 129.38 51.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.566 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 21.3 m-85 -112.79 142.27 45.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.0 m -132.31 122.04 24.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 t -91.91 106.63 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.456 ' HA ' ' CB ' ' A' ' 85' ' ' ARG . 2.8 t -93.05 144.35 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.593 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 17.1 p -131.83 38.46 3.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.12 -76.85 0.31 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -114.99 -46.58 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -95.7 166.45 11.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.562 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -163.56 166.45 22.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.0 t -113.32 -174.94 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 p -160.86 146.81 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -156.16 105.6 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 70.4 mmm -51.15 134.55 26.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.8 tp -115.69 116.86 28.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.7 m -105.28 130.22 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.433 ' O ' ' CE ' ' A' ' 71' ' ' MET . 61.3 t -107.55 90.39 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -59.99 107.45 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.35 128.64 35.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.6 mt -43.17 146.68 0.8 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.628 0.727 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 104.74 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 33.3 mm -60.72 145.72 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.424 ' NZ ' ' HA ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -112.37 116.89 31.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -173.67 121.42 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.2 p -83.29 121.13 26.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -39.91 -60.94 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.7 m 59.26 35.55 23.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -90.39 -70.9 1.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 2.78 3.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.298 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.1 t -114.36 154.53 27.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.5 p -154.17 168.82 25.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 p -135.29 123.11 22.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.9 0.381 . . . . 0.0 110.833 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -168.41 145.32 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.11 112.14 0.51 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.445 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -84.28 -49.6 8.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.831 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 m -57.43 97.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.97 -158.08 28.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 159.01 55.03 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.372 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.76 143.18 50.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' HA ' ' CD ' ' A' ' 84' ' ' GLU . 5.4 ptp85 -109.79 138.27 46.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.595 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 65.0 m-85 -74.07 100.54 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 42.9 pt -71.38 -28.18 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -126.31 128.76 47.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -93.67 138.24 32.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.449 ' CG1' ' O ' ' A' ' 29' ' ' GLN . 21.0 m -59.54 158.85 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -92.85 167.18 12.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.69 127.22 30.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.504 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -83.8 133.0 34.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -153.06 107.73 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.51 164.53 29.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -82.81 155.54 24.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -55.82 139.75 44.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.54 -0.5 88.31 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.07 179.32 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.7 m -117.43 111.24 19.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' HG23 ' A' ' 27' ' ' VAL . . . -66.93 159.08 29.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.504 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 92.1 t -142.74 112.28 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.404 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 8.3 mt -110.81 113.59 26.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.449 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 79.4 mt-30 -111.02 151.04 28.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.39 179.08 9.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -142.24 149.77 40.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 mt -121.79 151.97 40.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.466 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -71.22 -11.19 60.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.0 t -162.72 140.93 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.65 119.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -166.19 151.66 7.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.572 0.701 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 177.35 5.65 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.5 m -150.83 164.47 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.428 ' CG ' HG22 ' A' ' 46' ' ' THR . 33.1 tt0 -135.02 93.67 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.528 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 99.5 m95 -64.2 118.26 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -106.24 -174.74 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 8.3 tmtt? -169.09 133.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.45 49.83 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.4 m 66.48 51.86 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' OE2' ' CD ' ' A' ' 42' ' ' LYS . 2.1 pt-20 -156.49 142.47 18.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.428 HG22 ' CG ' ' A' ' 39' ' ' GLU . 86.5 m -89.18 131.15 35.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.9 mt -100.77 166.76 10.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.962 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -141.71 153.08 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.412 ' CB ' HD11 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -72.53 118.01 14.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -145.81 -139.87 3.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -76.57 -54.18 7.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.861 0.362 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -74.84 -42.43 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -90.72 140.19 30.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.52 112.12 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.822 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 2.7 mp -103.91 113.65 27.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -120.61 120.29 35.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 42.2 tt0 -118.06 145.24 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -131.87 67.58 1.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.13 -82.52 1.61 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 52.2 p -116.23 -17.43 10.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.351 . . . . 0.0 111.114 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -89.24 146.54 24.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 21.9 m -125.91 162.13 25.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -158.38 124.31 4.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.528 ' HB2' ' CD1' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -123.87 118.82 27.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.459 ' N ' HD22 ' A' ' 64' ' ' LEU . 21.4 mt-30 -107.19 134.66 49.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.434 HD11 ' CE2' ' A' ' 77' ' ' TYR . 23.3 mt -113.43 99.07 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.1 mtp85 -77.99 123.96 27.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.71 53.7 1.29 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.0 mt -67.62 138.56 56.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -148.33 171.88 15.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.465 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 7.6 mmt -56.65 -42.21 78.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.11 -37.02 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -62.07 -29.5 70.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.3 m -53.35 111.63 0.74 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.093 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.28 -125.7 0.82 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -145.03 123.7 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 2.0 m-85 -107.83 149.38 28.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 86' ' ' THR . 1.6 m -138.54 128.34 25.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.431 ' SG ' ' CE2' ' A' ' 40' ' ' TRP . 4.2 t -102.09 105.43 16.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.431 ' HA ' ' CB ' ' A' ' 85' ' ' ARG . 1.9 t -93.25 148.97 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.595 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 29.4 p -122.9 -39.85 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.85 -71.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -100.54 -40.42 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.942 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.42 ' CD ' ' HA ' ' A' ' 10' ' ' ARG . 7.2 pt-20 -117.52 175.09 5.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.577 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -161.42 171.38 18.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.459 ' O ' ' HA ' ' A' ' 78' ' ' SER . 6.8 t -127.92 159.86 33.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.37 159.15 42.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -156.46 107.06 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 58.4 mmm -48.6 120.28 3.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 tp -100.49 121.93 42.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.2 m -112.96 118.46 34.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.465 ' O ' ' CE ' ' A' ' 71' ' ' MET . 78.7 t -95.17 103.3 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -70.26 104.05 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.79 127.25 22.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.7 mt -55.05 155.85 7.97 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 98.15 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.634 2.223 . . . . 0.0 112.342 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 76.8 mt -60.77 -71.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -50.01 152.57 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -136.33 168.16 19.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 43.2 p 47.96 40.1 12.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -53.72 169.2 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.9 t -139.02 119.37 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 167.33 134.5 1.71 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 88.11 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.647 2.231 . . . . 0.0 112.402 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.4 t -49.59 101.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.8 m -127.83 147.67 50.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p -68.59 -49.61 58.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -46.44 143.63 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.72 -53.0 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -137.67 156.8 47.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 110.832 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -49.75 -53.27 26.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.65 -161.09 23.71 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 161.13 47.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.676 2.251 . . . . 0.0 112.293 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.92 137.68 53.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -114.3 144.2 43.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.594 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 80.4 m-85 -70.42 102.36 2.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.462 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 43.3 pt -71.6 -30.13 37.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -125.38 129.38 49.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -91.46 131.4 36.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 30' ' ' CYS . 32.7 m -55.06 159.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -97.64 150.9 20.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -45.19 139.52 3.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -99.33 136.31 39.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -152.05 119.65 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.69 145.79 24.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.407 ' CD ' HD22 ' A' ' 95' ' ' LEU . 14.7 mtt180 -69.37 145.77 52.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -40.86 149.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.69 31.02 67.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.6 179.19 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.433 HG22 ' CG ' ' A' ' 67' ' ' ARG . 38.2 m -121.88 102.97 8.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.28 159.6 7.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.3 t -142.78 110.45 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 9.9 mt -107.96 112.58 25.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -111.56 139.81 46.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.468 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 8.1 p -144.29 172.3 13.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -135.35 149.63 49.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.419 HD22 ' CD1' ' A' ' 11' ' ' PHE . 11.9 mt -122.25 151.23 41.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.462 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.0 OUTLIER -65.64 -23.89 66.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t -150.53 142.36 23.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.35 116.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.56 154.96 14.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.551 0.691 . . . . 0.0 111.122 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 177.18 5.88 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.0 m -154.97 -179.29 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 80' ' ' VAL . 26.5 tt0 -151.82 107.46 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.559 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 92.3 m95 -75.74 119.16 19.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 45' ' ' GLU . 84.1 mtt-85 -108.38 175.91 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.487 ' HD2' ' CZ ' ' A' ' 77' ' ' TYR . 5.9 tttm -169.14 105.05 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.48 48.48 43.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 p 63.86 28.78 14.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.853 0.359 . . . . 0.0 110.906 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 46' ' ' THR . 3.5 pt-20 -121.23 175.78 5.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.454 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 24.4 m -124.2 111.51 15.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.415 ' CG ' ' O ' ' A' ' 40' ' ' TRP . 11.4 mt -75.06 165.61 24.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -150.24 149.13 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.416 ' CB ' HD11 ' A' ' 55' ' ' LEU . 34.8 t0 -75.42 139.0 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.16 -118.88 0.46 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -97.14 -65.25 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -65.7 -31.93 73.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.403 ' CE2' HG12 ' A' ' 66' ' ' ILE . 29.1 m-85 -99.91 162.37 13.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -154.82 105.46 2.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.454 HD12 ' CD2' ' A' ' 64' ' ' LEU . 6.5 mp -101.52 101.82 12.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -103.61 175.46 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -168.99 139.42 2.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -130.2 77.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.45 -87.09 1.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 39.3 p -113.98 -22.73 9.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 111.131 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -85.68 148.62 25.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.5 m -126.83 170.12 12.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -159.76 128.18 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.5 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 1.4 tm? -128.24 119.42 25.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.452 ' N ' HD23 ' A' ' 64' ' ' LEU . 28.0 mt-30 -108.06 136.54 47.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.534 HD12 ' CE2' ' A' ' 77' ' ' TYR . 22.6 mt -118.43 94.05 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.433 ' CG ' HG22 ' A' ' 25' ' ' THR . 28.9 mtt-85 -76.59 134.34 39.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.53 44.98 3.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.0 mt -64.66 147.8 52.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.8 171.74 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.1 mmt -53.95 -31.45 50.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.98 -41.32 67.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.26 -33.91 65.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.0 m -45.59 104.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.13 -153.54 7.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.532 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -123.21 126.03 46.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.566 ' CE1' HD21 ' A' ' 90' ' ' LEU . 3.9 m-85 -108.82 150.09 28.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -138.49 121.45 16.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.4 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 5.1 t -88.52 100.49 13.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.459 ' HA ' ' CB ' ' A' ' 85' ' ' ARG . 1.8 t -89.16 136.14 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.594 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 30.8 p -120.95 27.24 8.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.53 -72.55 0.3 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -108.74 -43.92 4.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.736 0.303 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -101.56 168.55 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.53 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -167.55 155.62 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 87' ' ' SER . 8.1 t -106.85 -174.0 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.422 ' N ' ' OG1' ' A' ' 86' ' ' THR . 1.4 p -159.52 149.01 18.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.464 ' HB3' ' CG2' ' A' ' 15' ' ' VAL . . . -160.38 109.43 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 75.1 mmm -54.83 132.27 45.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.566 HD21 ' CE1' ' A' ' 77' ' ' TYR . 7.9 tp -111.88 113.29 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 63.6 m -102.43 127.47 49.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.0 t -106.41 88.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 93' ' ' ARG . 6.0 mmm180 -58.28 109.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.05 130.03 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.407 HD22 ' CD ' ' A' ' 21' ' ' ARG . 27.2 mt -67.17 143.27 97.55 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.555 0.693 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 106.51 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.318 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 12.6 mt -78.0 45.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -154.33 135.24 13.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -67.96 163.35 22.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.2 m -60.57 -43.01 97.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -89.92 -177.85 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.5 t 63.65 45.23 4.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -125.88 144.87 15.41 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 0.15 6.07 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 106' ' ' SER . 97.5 p -47.26 174.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 105' ' ' SER . 10.4 m -37.81 -60.43 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 m -124.99 144.83 50.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 t -47.8 105.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.3 -133.74 6.76 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.5 p -66.62 158.02 31.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.968 0.413 . . . . 0.0 110.822 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -119.33 -44.81 2.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.2 -114.6 3.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 160.53 49.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.654 2.236 . . . . 0.0 112.354 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.28 146.1 29.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.415 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 7.1 ptt-85 -120.75 140.89 51.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 69.4 m-85 -73.52 93.13 1.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.462 HG23 ' CA ' ' A' ' 33' ' ' ASN . 43.7 pt -60.58 -30.8 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -121.9 132.92 54.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -101.55 127.97 48.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.3 m -53.07 170.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -178.99 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -65.65 141.42 58.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -103.0 133.27 48.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -146.3 126.51 13.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -160.33 136.89 8.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -65.39 144.06 57.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' O ' ' CD1' ' A' ' 95' ' ' LEU . 19.2 mt-10 -40.21 149.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.62 22.86 77.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.34 -175.15 2.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.883 0.373 . . . . 0.0 111.1 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.5 m -127.88 107.96 10.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.09 158.51 13.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.2 t -140.29 117.03 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 mt -116.07 119.17 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -118.17 141.97 47.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 p -148.99 170.12 19.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' CD ' ' HG2' ' A' ' 61' ' ' LYS . 3.5 tp10 -126.23 159.72 32.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.6 mt -128.3 146.09 50.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.462 ' CA ' HG23 ' A' ' 12' ' ' ILE . 20.5 p-10 -64.29 -15.52 60.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.9 t -162.77 149.68 13.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.06 107.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.495 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -155.99 153.22 25.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 111.089 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 176.18 7.13 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.6 m -151.53 166.36 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.421 ' CD ' HG22 ' A' ' 46' ' ' THR . 11.5 tt0 -134.96 92.34 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.517 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 98.5 m95 -60.77 113.14 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.431 ' HD2' ' CG2' ' A' ' 80' ' ' VAL . 65.1 mtt-85 -101.9 -177.42 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 45' ' ' GLU . 28.2 tttt -169.69 137.48 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 34.56 39.93 0.17 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.509 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 t 73.99 42.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 110.831 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 42' ' ' LYS . 2.9 pt-20 -144.1 155.6 44.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.421 HG22 ' CD ' ' A' ' 39' ' ' GLU . 98.3 m -99.68 128.76 45.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.157 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.409 ' C ' ' HG2' ' A' ' 48' ' ' ARG . 5.9 mt -103.35 169.01 8.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.409 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 17.4 mmm180 -148.96 146.34 27.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.18 135.78 57.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.12 -129.35 1.09 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -83.5 -55.14 4.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -76.56 -44.24 35.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -91.53 140.54 29.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.75 98.62 4.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.468 HD21 ' CD2' ' A' ' 64' ' ' LEU . 5.2 mt -98.12 122.48 41.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -128.18 125.27 38.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 24.0 tt0 -126.02 142.35 51.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -134.7 64.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.87 -92.91 1.49 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.5 p -105.86 -20.61 13.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HG2' ' CD ' ' A' ' 31' ' ' GLU . 4.2 mtpm? -84.74 148.92 26.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.0 m -138.28 148.51 44.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -143.73 143.4 31.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.827 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.517 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 0.3 OUTLIER -144.3 115.68 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -104.78 148.72 26.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.497 HD12 ' CE2' ' A' ' 77' ' ' TYR . 15.7 mt -123.84 98.9 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -80.71 122.06 26.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.55 50.95 0.88 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.52 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.3 mt -69.11 141.01 54.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.16 159.98 35.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.405 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 11.1 mmt -42.21 -32.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.82 -44.85 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.8 -29.08 53.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.8 m -51.21 107.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.82 -143.13 3.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.514 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -131.35 133.16 45.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.497 ' CE2' HD12 ' A' ' 66' ' ' ILE . 23.3 m-85 -115.24 140.76 48.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m -130.95 120.45 23.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.9 t -92.61 104.7 16.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.431 ' CG2' ' HD2' ' A' ' 41' ' ' ARG . 2.3 t -92.82 145.51 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 27.6 p -118.62 -36.83 3.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 175.15 -62.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.503 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -105.35 -37.77 6.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.917 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -120.41 169.31 10.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.534 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 16.9 ptt-85 -159.21 162.48 36.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.4 t -109.79 179.82 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.86 145.25 15.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.42 117.65 2.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.058 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.33 138.36 58.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 tp -112.32 110.68 21.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.0 m -94.3 126.53 39.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.405 ' O ' ' CE ' ' A' ' 71' ' ' MET . 84.2 t -105.52 90.94 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -63.83 106.33 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.36 142.89 5.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.4 ' CD1' ' O ' ' A' ' 22' ' ' GLU . 19.1 mt -80.7 143.27 54.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 104.22 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.383 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 66.9 mt -59.81 -62.95 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -54.2 144.5 19.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -101.84 179.48 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.3 m 40.95 41.16 1.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -128.68 161.41 29.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.9 t -159.34 123.8 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 123.21 143.35 6.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -35.14 13.33 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 34.0 t -89.27 135.96 33.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.5 p -168.45 126.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.931 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 p -125.39 167.36 15.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -123.79 168.76 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.38 107.34 0.2 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -40.47 132.46 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -85.45 109.81 18.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.12 -154.61 18.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 158.85 55.49 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.339 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.477 ' HB2' ' CB ' ' A' ' 36' ' ' ALA . . . -84.19 146.97 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.494 ' CB ' ' OE2' ' A' ' 84' ' ' GLU . 17.1 ptt180 -118.29 132.62 56.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 70.9 m-85 -68.85 97.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 47.4 pt -66.64 -31.32 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -129.98 130.1 44.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -92.12 138.8 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.446 HG23 ' CB ' ' A' ' 88' ' ' ALA . 25.6 m -56.19 157.62 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -95.77 154.05 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -46.68 143.55 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -105.08 142.48 34.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -159.34 136.05 9.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.06 151.45 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -72.03 144.5 48.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -43.52 141.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.05 29.88 40.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.37 178.42 4.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 111.091 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.2 m -116.65 108.76 16.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.61 164.31 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.0 t -149.92 113.85 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.544 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.0 mt -114.07 117.1 30.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -116.13 143.56 45.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.0 p -145.39 169.32 18.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -132.72 142.64 49.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' A' ' 11' ' ' PHE . 9.4 mt -116.78 147.97 41.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.476 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -61.78 -22.58 65.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 35' ' ' ALA . 4.6 t -160.13 141.25 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 34' ' ' SER . . . -33.29 122.3 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.477 ' CB ' ' HB2' ' A' ' 9' ' ' ALA . . . -165.88 149.88 7.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.603 0.716 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 177.0 6.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.326 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.8 m -155.51 158.61 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CD ' HG21 ' A' ' 46' ' ' THR . 29.9 tt0 -133.46 84.03 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.544 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 96.5 m95 -53.7 117.7 3.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 45' ' ' GLU . 75.1 mtt180 -103.12 -178.06 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 8.4 tmtt? -164.48 128.22 2.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.42 45.68 0.98 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.5 t 71.93 50.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' HA ' ' A' ' 41' ' ' ARG . 2.4 pt-20 -156.78 149.09 23.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.424 HG21 ' CD ' ' A' ' 39' ' ' GLU . 99.4 m -90.8 133.32 35.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.5 mt -98.44 170.77 8.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -150.26 147.45 27.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.479 ' CA ' HD12 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -75.98 115.42 15.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.4 -127.74 2.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.88 -51.91 6.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -80.02 -42.12 24.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -85.1 160.28 20.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -153.32 105.06 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.479 HD12 ' CA ' ' A' ' 49' ' ' ASP . 6.7 mp -103.78 100.82 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 -102.83 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -171.65 137.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -128.79 75.34 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.0 -89.49 1.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.5 p -110.04 -23.91 11.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -85.32 147.12 26.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.948 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 76.2 m -125.43 171.32 10.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -158.4 137.63 11.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.53 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 1.4 tm? -138.42 117.7 12.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.438 ' N ' HD21 ' A' ' 64' ' ' LEU . 20.6 mt-30 -107.91 139.47 42.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.447 HD12 ' CE2' ' A' ' 77' ' ' TYR . 18.1 mt -121.02 117.39 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -93.21 135.47 34.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.84 50.96 2.95 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.1 mt -66.69 107.06 2.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -124.6 164.96 18.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.481 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 10.5 mmt -45.37 -30.64 1.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.94 -44.2 73.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.53 -33.58 55.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.0 m -48.85 117.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -174.81 -134.29 1.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -140.8 116.39 10.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 18.8 m-85 -99.99 141.31 32.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -133.88 125.13 27.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.443 ' SG ' ' CE2' ' A' ' 40' ' ' TRP . 2.4 t -94.59 100.15 12.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.446 ' HA ' ' CB ' ' A' ' 85' ' ' ARG . 2.5 t -91.7 135.43 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.449 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -108.03 -46.01 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.12 -65.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -104.88 -40.5 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' OE2' ' CB ' ' A' ' 10' ' ' ARG . 6.0 pt-20 -117.75 169.91 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.573 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -160.78 169.0 23.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.1 t -118.43 -178.09 3.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.9 p -159.37 152.35 21.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.446 ' CB ' HG23 ' A' ' 15' ' ' VAL . . . -155.13 105.05 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.064 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 77.1 mmm -50.48 129.31 21.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.0 tp -108.17 119.5 39.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.7 m -107.2 119.7 40.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.481 ' O ' ' CE ' ' A' ' 71' ' ' MET . 85.8 t -102.42 88.12 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -59.77 107.78 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.02 142.94 28.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 72.8 mt -73.4 147.83 87.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.587 0.708 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 105.01 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.653 2.235 . . . . 0.0 112.386 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.2 mt -60.01 -48.68 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -152.24 127.03 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.436 ' O ' ' C ' ' A' ' 100' ' ' THR . 14.5 p90 -90.37 78.5 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 99' ' ' PHE . 12.5 t 34.04 37.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 99' ' ' PHE . 21.8 tt0 -63.9 -45.72 88.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.6 p -119.98 129.83 54.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -176.25 -95.54 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.54 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -179.59 3.03 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.622 2.214 . . . . 0.0 112.358 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.5 t -141.22 160.77 39.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.7 m -71.68 126.63 30.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.807 0.337 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.416 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 23.9 ptt180 -117.25 139.21 51.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 72.6 m-85 -68.52 96.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.579 HD11 ' HG2' ' A' ' 31' ' ' GLU . 35.4 pt -65.21 -31.35 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 12' ' ' ILE . 22.2 mt-10 -126.47 119.78 28.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.33 129.25 34.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.921 HG23 ' HB2' ' A' ' 88' ' ' ALA . 31.3 m -48.16 162.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -103.66 151.28 23.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -39.43 148.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -111.23 131.2 55.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -144.84 124.74 13.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.408 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -159.98 137.45 9.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -64.91 147.46 53.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -41.35 152.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.4 28.69 73.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.542 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.6 -174.96 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.0 m -126.6 102.62 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.59 164.33 9.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.433 HG22 ' HG2' ' A' ' 65' ' ' GLN . 48.8 t -148.91 108.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.66 HD12 HD12 ' A' ' 64' ' ' LEU . 10.4 mt -107.8 112.41 25.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.878 ' O ' HG12 ' A' ' 15' ' ' VAL . 86.5 mt-30 -116.38 147.08 41.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.404 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 1.4 p -148.11 179.91 7.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.579 ' HG2' HD11 ' A' ' 12' ' ' ILE . 25.5 tt0 -139.23 148.22 42.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 mt -122.73 151.78 41.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.416 ' ND2' ' HG2' ' A' ' 10' ' ' ARG . 44.9 p-10 -67.33 -21.51 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -153.08 149.29 27.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.37 113.49 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -158.36 150.64 17.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.587 0.708 . . . . 0.0 111.095 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 176.74 6.36 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.0 m -150.38 165.94 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.536 ' CG ' HG23 ' A' ' 46' ' ' THR . 34.8 tt0 -134.83 88.16 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.875 ' CD1' HD22 ' A' ' 55' ' ' LEU . 99.3 m95 -57.47 116.52 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.573 ' HE ' HG21 ' A' ' 80' ' ' VAL . 48.0 mtt-85 -103.24 -177.41 3.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.606 ' HB2' HD11 ' A' ' 47' ' ' LEU . 13.5 tmtt? -168.16 132.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.26 44.24 0.25 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.493 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.3 m 71.59 49.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -155.07 145.09 21.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.536 HG23 ' CG ' ' A' ' 39' ' ' GLU . 96.2 m -88.52 130.65 35.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 42' ' ' LYS . 11.0 mt -103.46 164.7 11.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -145.36 144.15 30.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.05 130.43 46.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.76 -125.07 0.77 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -89.46 -50.85 5.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -80.86 -40.31 25.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -95.98 140.05 31.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.01 99.95 4.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.045 HD23 HD23 ' A' ' 64' ' ' LEU . 5.3 mt -97.0 120.4 37.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -129.42 129.41 44.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 35.0 tt0 -121.98 144.29 48.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -132.01 75.19 1.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.53 -90.01 1.61 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.1 p -109.75 -22.82 11.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 111.126 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -86.46 152.08 22.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 79.9 m -128.98 172.45 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -160.83 147.3 15.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.045 HD23 HD23 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -150.41 121.05 7.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.847 ' N ' HD22 ' A' ' 64' ' ' LEU . 20.9 mt-30 -108.04 145.85 33.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.1 mt -123.93 96.74 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -80.6 126.59 31.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.73 41.93 2.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.408 HD13 ' HB3' ' A' ' 20' ' ' ALA . 53.9 mt -61.51 123.03 16.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.98 169.44 17.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 7.6 mmt -49.75 -46.05 50.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.63 84.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.14 -34.72 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.434 HG23 ' HA ' ' A' ' 91' ' ' THR . 38.5 m -46.34 100.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.499 ' O ' ' CE ' ' A' ' 89' ' ' MET . . . -158.13 -154.27 7.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -117.93 124.83 49.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.368 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.76 ' CE1' HD23 ' A' ' 90' ' ' LEU . 17.9 m-85 -108.39 139.54 42.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -133.29 130.04 38.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.521 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 6.0 t -101.02 105.34 16.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.573 HG21 ' HE ' ' A' ' 41' ' ' ARG . 1.6 t -96.37 139.46 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 1.7 p -131.04 17.12 5.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.99 -100.86 0.2 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -98.06 -33.21 11.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.559 ' OE2' ' CD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -105.12 167.44 9.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.57 ' HB3' HG13 ' A' ' 80' ' ' VAL . 8.2 ptt180 -163.72 159.97 22.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.402 ' OG1' ' N ' ' A' ' 87' ' ' SER . 5.7 t -106.55 179.62 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.402 ' N ' ' OG1' ' A' ' 86' ' ' THR . 0.9 OUTLIER -158.27 139.53 13.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.838 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.921 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -148.37 108.28 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -53.75 128.2 28.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.76 HD23 ' CE1' ' A' ' 77' ' ' TYR . 10.2 tp -109.37 108.95 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.434 ' HA ' HG23 ' A' ' 74' ' ' THR . 40.3 m -100.58 125.55 46.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.495 ' O ' ' CE ' ' A' ' 71' ' ' MET . 87.5 t -101.98 91.22 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.8 mmm-85 -64.36 104.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.67 131.1 25.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.931 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.781 0.324 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -115.77 145.44 42.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 96.6 m-85 -71.03 104.22 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 pt -72.22 -27.69 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -127.8 116.34 20.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.43 128.94 34.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.84 HG12 ' O ' ' A' ' 29' ' ' GLN . 30.7 m -47.91 163.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -103.18 148.51 25.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -40.42 147.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.476 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.6 tp-100 -108.18 149.1 28.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -158.32 132.03 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -172.17 137.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -65.45 150.48 48.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HG3' HG12 ' A' ' 92' ' ' VAL . 13.6 mt-10 -44.9 148.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.55 24.19 75.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.12 -175.43 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.8 m -126.1 105.09 8.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -66.06 160.35 24.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.492 HG22 ' HG2' ' A' ' 65' ' ' GLN . 17.6 t -143.87 116.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.467 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.1 mt -115.26 117.24 29.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.84 ' O ' HG12 ' A' ' 15' ' ' VAL . 78.9 mt-30 -117.11 142.25 47.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.45 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 1.8 p -142.35 -175.17 4.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -146.89 154.55 41.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mt -131.86 151.81 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.436 ' C ' ' OD1' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -66.67 -24.69 66.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -150.23 145.17 26.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.06 118.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -161.4 149.61 12.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.553 0.692 . . . . 0.0 111.106 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 177.16 5.88 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.4 m -152.09 163.02 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.667 ' CG ' HG23 ' A' ' 46' ' ' THR . 31.9 tt0 -133.53 85.79 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 97.7 m95 -57.33 116.93 3.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.5 ' NE ' HG21 ' A' ' 80' ' ' VAL . 59.7 mtt180 -103.78 -176.88 3.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.586 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 11.4 tmtt? -165.81 129.66 2.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.16 41.48 0.49 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t 75.04 48.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.332 . . . . 0.0 110.814 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -155.03 135.13 13.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.667 HG23 ' CG ' ' A' ' 39' ' ' GLU . 80.2 m -79.31 131.13 36.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.2 mt -99.62 166.72 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -145.13 154.21 42.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.563 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -75.28 135.39 40.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.87 -137.05 2.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -76.76 -58.66 3.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.9 mtt85 -71.59 -45.1 63.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -90.81 157.4 17.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -151.56 106.52 3.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.563 HD13 ' CA ' ' A' ' 49' ' ' ASP . 6.8 mp -99.6 101.68 12.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -108.41 116.49 32.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -115.71 140.18 49.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -128.74 76.33 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.0 -88.8 1.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 39.2 p -109.8 -25.45 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 111.14 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -84.05 144.19 29.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 55.8 m -125.71 159.33 32.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -148.33 134.56 19.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.8 tm? -131.86 117.55 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.539 ' N ' HD22 ' A' ' 64' ' ' LEU . 33.1 mt-30 -110.6 133.72 53.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.7 mt -115.53 100.47 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -84.18 124.36 31.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.83 44.37 2.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.3 mt -57.47 152.57 14.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -160.66 165.28 30.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.437 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 13.1 mmt -47.96 -50.72 26.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.4 -43.83 68.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.73 -27.82 43.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.4 m -55.37 108.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.03 -131.71 1.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -136.65 135.05 37.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.378 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.632 ' CE1' HD23 ' A' ' 90' ' ' LEU . 26.3 m-85 -114.79 138.2 51.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -128.93 123.92 33.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.409 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 3.2 t -96.53 100.12 11.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.5 HG21 ' NE ' ' A' ' 41' ' ' ARG . 2.4 t -88.11 140.21 16.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 24.3 p -112.53 -36.39 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 173.11 -58.67 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -106.17 -36.14 6.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -129.05 170.94 12.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.548 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -156.93 171.12 21.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 87' ' ' SER . 5.4 t -114.31 -178.4 3.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.429 ' N ' ' OG1' ' A' ' 86' ' ' THR . 1.3 p -156.43 141.6 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.821 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -153.06 119.45 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 80.1 mmm -65.95 137.03 56.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.632 HD23 ' CE1' ' A' ' 77' ' ' TYR . 10.3 tp -117.76 116.28 26.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 77.8 m -102.31 126.37 49.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.449 HG12 ' HG3' ' A' ' 22' ' ' GLU . 96.6 t -105.31 94.85 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -64.88 102.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.93 140.86 3.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.3 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.898 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.761 0.315 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.46 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 8.6 ptp180 -112.95 137.31 51.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.579 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 76.6 m-85 -66.15 99.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.615 HD11 ' HG2' ' A' ' 31' ' ' GLU . 45.2 pt -65.63 -32.53 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.442 ' N ' HG13 ' A' ' 12' ' ' ILE . 4.5 mm-40 -124.94 133.64 52.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.08 127.85 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.884 HG12 ' O ' ' A' ' 29' ' ' GLN . 23.7 m -47.68 159.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -94.62 155.25 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -52.89 123.77 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -79.65 134.63 36.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -150.88 116.17 5.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.3 140.32 19.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -65.55 149.23 50.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -45.72 145.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.18 31.86 61.02 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -123.5 -175.9 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.361 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.2 m -123.07 108.57 13.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.471 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -71.83 157.14 38.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.59 HG22 ' HG2' ' A' ' 65' ' ' GLN . 58.5 t -139.78 110.11 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 6.7 mt -107.05 108.73 20.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.884 ' O ' HG12 ' A' ' 15' ' ' VAL . 84.1 mt-30 -113.33 146.1 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 p -145.26 -178.44 6.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.615 ' HG2' HD11 ' A' ' 12' ' ' ILE . 19.3 tt0 -140.64 156.31 46.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.4 mt -129.57 154.28 47.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.46 ' ND2' ' HG2' ' A' ' 10' ' ' ARG . 39.3 p-10 -71.37 -19.3 62.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.8 t -153.03 143.17 22.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.01 112.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -162.18 150.72 12.49 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.549 0.69 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 174.85 8.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.435 HG12 ' HB3' ' A' ' 81' ' ' CYS . 33.3 m -155.17 177.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.493 ' HG2' HG23 ' A' ' 46' ' ' THR . 2.7 tp10 -141.5 125.45 17.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.707 ' CD1' HD22 ' A' ' 55' ' ' LEU . 91.7 m95 -90.58 110.72 21.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.421 ' NE ' HG21 ' A' ' 80' ' ' VAL . 52.0 mtt180 -97.35 -174.99 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 43' ' ' GLY . 34.1 tttt -167.3 130.4 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 34.33 43.64 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m 73.88 49.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.867 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 42' ' ' LYS . 2.9 pt-20 -155.08 132.53 11.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.493 HG23 ' HG2' ' A' ' 39' ' ' GLU . 93.8 m -81.76 130.6 35.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' A' ' 42' ' ' LYS . 9.8 mt -102.22 174.28 5.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -149.19 151.1 33.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.57 136.76 53.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -168.59 -129.79 1.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -83.0 -58.14 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -71.73 -44.67 63.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -93.99 140.26 29.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -134.42 98.38 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.853 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.943 HD23 HD23 ' A' ' 64' ' ' LEU . 7.1 mt -91.05 118.54 30.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 54' ' ' SER . 0.9 OUTLIER -122.99 129.31 51.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -123.55 142.27 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -133.82 75.28 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.12 -89.63 1.62 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.445 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.5 p -110.67 -24.4 10.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 0.0 111.099 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -85.91 145.05 27.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.7 m -121.87 173.7 7.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 64' ' ' LEU . 45.6 tt0 -158.31 154.36 26.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.943 HD23 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -157.33 110.18 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.632 ' N ' HD22 ' A' ' 64' ' ' LEU . 35.7 mt-30 -98.45 150.91 21.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 26.2 mt -126.81 100.92 6.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -84.35 123.53 30.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.99 47.72 1.32 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.527 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.2 mt -66.25 143.33 57.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -160.35 157.44 27.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 13.4 mmt -38.8 -39.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.77 -45.64 85.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' ALA . 0.7 OUTLIER -52.09 -34.43 43.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.9 m -47.42 107.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.48 -136.65 2.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -135.38 129.52 33.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.876 0.37 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.425 ' CE1' HD23 ' A' ' 90' ' ' LEU . 17.9 m-85 -113.61 137.94 50.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 m -131.51 125.1 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.4 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 t -96.61 102.08 13.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.421 HG21 ' NE ' ' A' ' 41' ' ' ARG . 2.7 t -90.72 133.53 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.579 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 23.1 p -107.71 -18.97 13.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.02 -68.89 0.31 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -94.87 -41.48 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 110.921 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -121.08 168.23 11.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.536 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 3.6 ptt85 -157.23 164.02 38.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.6 t -115.78 -175.63 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 p -159.39 147.17 17.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.874 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -153.02 109.84 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 72.0 mmm -61.16 114.65 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.488 HD13 ' HB3' ' A' ' 18' ' ' GLN . 6.0 tp -92.72 114.87 27.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.2 m -104.06 127.38 51.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.495 ' O ' ' CE ' ' A' ' 71' ' ' MET . 98.6 t -105.58 103.47 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -73.38 105.94 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -43.09 141.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.634 0.731 . . . . 0.0 110.92 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.793 0.33 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -128.93 132.85 47.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.602 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 92.5 m-85 -64.89 100.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 13' ' ' GLU . 44.6 pt -66.96 -33.06 60.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.457 ' N ' HG13 ' A' ' 12' ' ' ILE . 8.6 mm-40 -126.18 121.87 34.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -84.74 137.07 33.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.878 HG12 ' O ' ' A' ' 29' ' ' GLN . 12.0 m -58.39 156.2 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' ASN . 23.1 mmtp -97.0 147.43 24.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER -35.66 149.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.48 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.6 tp-100 -111.65 117.15 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.18 134.64 50.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -174.42 151.19 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.716 ' HD2' HD23 ' A' ' 95' ' ' LEU . 14.7 mtm180 -71.81 173.15 8.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.455 ' O ' HD11 ' A' ' 95' ' ' LEU . 12.9 mt-10 -67.12 159.65 28.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.55 16.66 51.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.503 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -103.17 -175.1 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 111.117 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.7 m -125.79 106.75 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.48 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -70.34 158.26 36.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.59 HG22 ' HG2' ' A' ' 65' ' ' GLN . 21.4 t -140.97 116.32 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 mt -115.49 109.28 17.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.878 ' O ' HG12 ' A' ' 15' ' ' VAL . 75.2 mt-30 -109.73 145.92 35.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.482 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 2.6 p -144.65 -177.46 5.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -143.56 159.04 43.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 mt -131.0 155.32 47.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -73.01 -20.14 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -151.02 144.36 24.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.46 112.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -162.17 152.88 14.61 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.58 0.705 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 173.98 10.21 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.324 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.2 m -153.17 179.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.469 ' CD ' ' N ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -146.21 125.53 13.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.781 ' CD1' HD22 ' A' ' 55' ' ' LEU . 89.0 m95 -91.9 112.09 23.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.433 ' HD2' ' CG2' ' A' ' 80' ' ' VAL . 47.7 mtt180 -100.08 -175.69 3.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.519 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 19.9 tttt -170.55 119.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 45.46 43.8 10.74 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.471 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.2 t 71.57 45.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.887 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -148.02 133.48 18.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.402 HG23 ' CD ' ' A' ' 39' ' ' GLU . 86.8 m -86.19 123.73 31.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.4 ' C ' ' HG2' ' A' ' 48' ' ' ARG . 6.1 mt -97.49 169.41 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.4 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 13.9 mmm180 -147.24 147.91 30.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.9 135.64 57.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -168.21 -128.85 1.03 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -83.59 -56.56 3.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.747 0.308 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -74.98 -44.82 46.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -91.29 139.75 30.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.95 97.93 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.03 HD23 HD23 ' A' ' 64' ' ' LEU . 5.7 mt -94.76 123.96 38.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -130.33 122.23 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -115.4 139.81 49.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -130.14 74.03 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.09 -90.58 1.65 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.2 p -110.44 -21.59 12.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 111.163 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -86.79 154.17 21.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 38.3 m -133.92 168.64 18.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -160.95 136.65 8.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.03 HD23 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -136.41 115.26 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.727 ' N ' HD22 ' A' ' 64' ' ' LEU . 43.9 mt-30 -101.43 141.82 33.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.0 mt -117.57 100.08 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -85.53 120.9 27.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.27 47.8 1.04 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 24' ' ' ALA . 37.2 mt -63.16 151.6 39.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.346 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -162.21 145.73 11.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.734 ' SD ' ' HB2' ' A' ' 94' ' ' ALA . 60.2 mmm -38.73 -31.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.28 -41.54 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' ALA . 75.0 m-20 -54.76 -22.59 14.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.3 m -53.2 104.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.54 -135.34 1.9 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -139.13 131.47 28.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.704 ' CE1' HD23 ' A' ' 90' ' ' LEU . 12.2 m-85 -114.86 144.21 43.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -135.54 129.19 32.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.852 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.602 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 1.9 t -98.72 101.3 12.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.477 HG12 ' H ' ' A' ' 82' ' ' GLY . 2.1 t -88.06 147.95 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 10.6 p -133.16 15.21 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.477 ' H ' HG12 ' A' ' 80' ' ' VAL . . . 132.81 -82.01 0.31 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -99.87 -45.39 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.317 . . . . 0.0 110.933 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -100.68 166.66 10.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.578 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 9.5 ptt180 -164.04 153.82 14.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.809 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.9 t -106.61 177.77 4.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 p -158.94 147.11 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.815 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -156.53 109.68 2.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.069 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 77.3 mmm -50.73 140.8 14.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.704 HD23 ' CE1' ' A' ' 77' ' ' TYR . 12.3 tp -119.2 109.17 15.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.8 m -98.61 127.54 44.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.6 t -108.83 105.97 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -77.9 111.51 13.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.734 ' HB2' ' SD ' ' A' ' 71' ' ' MET . . . -50.64 138.86 17.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.075 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.716 HD23 ' HD2' ' A' ' 21' ' ' ARG . 22.3 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.561 0.696 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.817 0.341 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -104.26 159.48 15.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.569 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 82.5 m-85 -83.24 99.6 10.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 13' ' ' GLU . 44.1 pt -67.51 -32.07 55.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.147 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 12' ' ' ILE . 25.0 mt-10 -121.44 129.56 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.18 131.94 37.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.996 HG12 ' O ' ' A' ' 29' ' ' GLN . 32.8 m -55.83 161.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -102.27 148.37 25.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.51 146.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.518 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.9 tp-100 -108.65 143.39 37.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -159.3 125.92 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.7 145.56 17.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -67.19 149.78 49.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -45.5 152.26 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.48 29.15 72.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.439 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.15 -179.16 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.9 m -123.61 108.31 12.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.518 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -64.41 163.63 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.035 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.642 HG22 ' HG2' ' A' ' 65' ' ' GLN . 98.3 t -144.98 115.67 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.584 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 9.5 mt -114.7 113.83 24.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.996 ' O ' HG12 ' A' ' 15' ' ' VAL . 78.6 mt-30 -113.92 143.73 44.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.467 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 8.1 p -145.01 -178.97 6.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -139.54 154.87 47.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.0 mt -129.88 150.99 50.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -63.17 -24.89 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 t -154.28 140.99 19.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.583 ' N ' HG22 ' A' ' 60' ' ' THR . . . -38.75 118.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.12 151.23 11.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.603 0.716 . . . . 0.0 111.071 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 178.68 4.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.3 m -154.44 163.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.663 ' CG ' HG23 ' A' ' 46' ' ' THR . 30.0 tt0 -134.84 90.18 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.584 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 95.5 m95 -61.06 112.34 2.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -101.55 -178.07 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.543 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 5.4 tttm -167.63 133.07 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 32.36 52.55 0.42 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.2 m 63.65 51.43 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -156.15 135.45 12.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.663 HG23 ' CG ' ' A' ' 39' ' ' GLU . 99.2 m -85.19 131.83 34.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 mt -99.81 162.83 12.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -142.01 153.03 43.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.47 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -72.42 141.18 48.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.46 -142.48 3.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -75.42 -52.24 11.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -78.2 -42.3 31.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -94.39 156.94 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -149.65 105.0 3.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.47 HD13 ' N ' ' A' ' 49' ' ' ASP . 7.5 mp -102.17 98.19 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -98.83 176.79 5.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -171.31 140.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -131.04 77.12 1.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.32 -91.65 1.71 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.583 HG22 ' N ' ' A' ' 35' ' ' ALA . 28.3 p -108.13 -24.57 11.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.821 0.343 . . . . 0.0 111.162 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -83.6 155.24 23.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 50.8 m -129.2 175.42 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -162.06 137.26 7.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.621 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.5 tm? -137.67 119.4 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.642 ' HG2' HG22 ' A' ' 27' ' ' VAL . 33.2 mt-30 -110.87 138.88 46.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.6 mt -118.95 96.12 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -78.91 126.57 30.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.56 48.36 1.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.531 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 mt -64.99 148.19 52.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.8 161.47 26.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.6 mmt -42.05 -39.64 2.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.39 -45.86 82.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -34.01 46.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.7 m -48.83 105.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.07 -146.23 4.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -126.99 130.57 50.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.543 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 21.2 m-85 -113.89 140.69 48.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.7 m -131.9 117.3 18.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.1 t -86.95 104.79 16.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.413 ' HA ' ' CB ' ' A' ' 85' ' ' ARG . 2.6 t -95.38 129.67 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.569 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 21.1 p -101.99 -23.86 14.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 160.31 -65.87 0.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.448 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -97.88 -40.19 8.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 110.935 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.422 ' N ' ' CD ' ' A' ' 84' ' ' GLU . 1.2 pm0 -123.71 171.91 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.567 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -160.41 168.76 24.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.2 t -116.59 -175.36 2.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.0 p -159.44 148.39 18.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.659 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -158.97 110.57 2.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 72.4 mmm -57.04 133.89 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.43 HD23 ' CE1' ' A' ' 77' ' ' TYR . 9.6 tp -114.31 117.35 30.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.0 m -103.87 128.03 51.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.7 t -105.64 89.98 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -60.52 110.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.42 127.44 32.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.9 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.635 0.731 . . . . 0.0 110.924 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.819 0.342 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -113.28 146.51 39.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.58 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 86.4 m-85 -76.92 93.52 3.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 33' ' ' ASN . 42.4 pt -64.91 -31.14 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.425 ' N ' HG13 ' A' ' 12' ' ' ILE . 26.5 mt-10 -124.73 120.99 33.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.64 132.69 34.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.87 HG23 ' HB2' ' A' ' 88' ' ' ALA . 24.9 m -51.31 160.02 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -98.07 148.22 23.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -43.62 139.49 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.562 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.8 tp-100 -99.16 144.61 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -157.74 130.18 7.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.31 137.98 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 ptt-85 -62.16 152.17 33.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.07 152.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.56 28.3 73.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.76 -174.9 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.0 m -127.03 107.47 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.562 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -71.9 157.07 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.628 HG22 ' HG2' ' A' ' 65' ' ' GLN . 31.6 t -140.26 117.62 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.586 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.2 mt -113.64 118.93 35.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.753 ' O ' HG12 ' A' ' 15' ' ' VAL . 77.5 mt-30 -119.86 140.99 49.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 3.7 p -142.22 -179.06 6.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -143.47 159.46 42.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.425 HD21 ' CE1' ' A' ' 11' ' ' PHE . 8.3 mt -134.1 146.3 50.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.475 ' HB3' ' CG2' ' A' ' 12' ' ' ILE . 1.2 p-10 -67.51 -15.12 63.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.3 p -149.42 137.91 20.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.483 ' N ' HG22 ' A' ' 60' ' ' THR . . . -51.74 113.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -161.76 153.77 16.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.649 0.738 . . . . 0.0 111.095 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 53.7 Cg_endo -69.71 174.16 9.88 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.442 HG12 ' HB3' ' A' ' 81' ' ' CYS . 32.3 m -157.36 176.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -142.71 128.57 19.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.586 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 95.3 m95 -92.52 111.12 22.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.782 ' CZ ' HG21 ' A' ' 80' ' ' VAL . 56.9 mtt180 -97.8 -179.64 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.586 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 6.2 tmtt? -162.62 135.09 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 34.35 40.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.5 t 74.95 47.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.353 . . . . 0.0 110.835 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 42' ' ' LYS . 2.8 pt-20 -150.61 149.97 30.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.9 m -92.28 124.22 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.9 mt -91.26 165.67 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -141.64 145.68 35.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.462 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -69.63 136.6 51.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.13 -142.5 3.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -72.83 -56.17 5.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -74.1 -45.4 49.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -92.89 154.3 18.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.9 m -147.97 105.02 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.462 HD13 ' CA ' ' A' ' 49' ' ' ASP . 7.6 mp -99.81 103.63 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.8 mtp-105 -108.2 171.9 7.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -172.34 143.91 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -134.65 82.01 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.6 -91.43 1.56 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.483 HG22 ' N ' ' A' ' 35' ' ' ALA . 20.2 p -108.86 -24.33 11.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 111.115 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -81.91 152.65 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.6 m -129.79 170.47 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -159.83 137.17 9.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.755 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.2 tm? -142.8 123.56 14.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.755 ' N ' HD22 ' A' ' 64' ' ' LEU . 24.9 mt-30 -114.11 151.76 32.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.4 mt -128.76 92.8 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 -77.47 126.55 31.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.64 42.69 2.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.8 mt -58.7 149.01 27.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.945 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.549 ' HB3' ' OD1' ' A' ' 73' ' ' ASP . . . -161.66 159.45 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.6 mmt -39.67 -50.27 2.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.96 -48.04 70.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.549 ' OD1' ' HB3' ' A' ' 70' ' ' ALA . 0.6 OUTLIER -47.44 -38.65 13.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.0 m -46.15 107.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.7 -125.0 0.74 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -145.43 131.01 18.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.634 ' CE1' HD23 ' A' ' 90' ' ' LEU . 38.4 m-85 -115.97 136.32 53.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 86' ' ' THR . 3.5 m -129.97 127.78 40.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.6 t -99.57 103.27 14.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.782 HG21 ' CZ ' ' A' ' 41' ' ' ARG . 2.1 t -87.57 151.76 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.58 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 25.1 p -127.15 -40.38 1.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -177.48 -69.45 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -102.89 -37.74 7.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -119.4 162.55 18.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 20.7 ptt-85 -149.77 162.17 40.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.43 HG21 HG13 ' A' ' 15' ' ' VAL . 6.0 t -112.2 167.54 10.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 p -146.34 151.2 37.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.87 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -159.2 111.45 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 81.0 mmm -58.83 134.79 57.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.634 HD23 ' CE1' ' A' ' 77' ' ' TYR . 10.9 tp -114.52 117.59 31.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.5 m -104.82 125.19 50.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.2 t -104.24 93.01 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -62.81 107.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.16 135.44 25.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.8 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 121.549 0.69 . . . . 0.0 110.916 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.816 0.341 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.5 ptt85 -117.99 139.02 51.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 75.9 m-85 -65.45 105.24 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.442 ' CG2' ' HB3' ' A' ' 33' ' ' ASN . 35.8 pt -71.05 -31.72 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.439 ' N ' HG13 ' A' ' 12' ' ' ILE . 25.7 mm-40 -129.5 128.7 43.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.64 133.39 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.951 HG23 ' HB2' ' A' ' 88' ' ' ALA . 31.0 m -54.69 162.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -99.45 149.24 23.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -45.83 134.04 8.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.569 ' HB3' HD13 ' A' ' 90' ' ' LEU . 5.5 tp-100 -90.31 138.07 31.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -151.38 130.67 12.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.468 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -166.8 154.47 9.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -76.51 146.96 38.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.421 ' HG3' HG12 ' A' ' 92' ' ' VAL . 23.6 mt-10 -44.58 139.85 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.71 30.55 35.56 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.455 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -119.83 -175.27 2.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.823 0.344 . . . . 0.0 111.135 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.2 m -123.9 100.21 6.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.537 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -56.55 156.32 6.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.542 HG22 ' HG2' ' A' ' 65' ' ' GLN . 81.7 t -144.93 108.46 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.0 mt -108.4 115.17 29.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.907 ' O ' HG12 ' A' ' 15' ' ' VAL . 31.1 mt-30 -113.44 145.0 41.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.433 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 6.1 p -146.12 -177.23 5.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.408 ' HG2' HD11 ' A' ' 12' ' ' ILE . 18.5 tt0 -145.82 149.26 33.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mt -121.99 154.99 36.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.442 ' HB3' ' CG2' ' A' ' 12' ' ' ILE . 27.1 p-10 -69.47 -22.31 63.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.432 ' C ' HG22 ' A' ' 60' ' ' THR . 7.8 t -151.98 150.67 30.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.36 114.89 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.71 151.39 10.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 172.01 13.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.8 m -151.85 173.98 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.482 ' CD ' ' N ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -141.4 126.15 18.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.539 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 95.9 m95 -93.89 110.51 22.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.455 ' HE ' HG21 ' A' ' 80' ' ' VAL . 29.2 mtt-85 -100.75 -175.83 3.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.503 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 7.3 tttm -169.63 128.17 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 40.21 49.25 3.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m 64.65 52.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -157.25 139.05 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -87.39 127.57 35.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 mt -93.73 162.72 13.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -137.89 143.83 41.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.46 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -67.74 128.1 35.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.86 -143.15 3.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -72.55 -50.76 23.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -80.12 -40.52 27.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -96.03 147.89 23.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -141.76 105.02 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.46 HD13 ' CA ' ' A' ' 49' ' ' ASP . 7.5 mp -101.92 100.6 10.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -105.09 175.63 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -169.29 142.68 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -131.69 75.9 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.61 -88.02 1.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.432 HG22 ' C ' ' A' ' 34' ' ' SER . 6.6 p -111.32 -24.98 9.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.145 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -83.93 148.97 26.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.9 m -124.29 172.19 9.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -162.83 130.35 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.637 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.4 tm? -131.59 118.51 20.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.637 ' N ' HD22 ' A' ' 64' ' ' LEU . 21.1 mt-30 -106.73 140.41 39.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.2 mt -122.37 106.95 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -83.33 138.21 33.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.21 46.6 4.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.537 HD21 ' HB2' ' A' ' 26' ' ' ALA . 42.4 mt -64.19 105.2 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -123.46 171.92 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.112 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.479 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 10.4 mmt -53.53 -33.04 53.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.14 -42.4 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -31.52 69.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.9 m -49.08 102.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.501 ' O ' ' CE ' ' A' ' 89' ' ' MET . . . -159.8 -157.14 8.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -115.54 124.02 49.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.503 ' CZ ' ' HG3' ' A' ' 42' ' ' LYS . 8.8 m-85 -108.07 142.86 37.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -133.17 125.64 29.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.402 ' HB3' HG22 ' A' ' 86' ' ' THR . 3.4 t -95.39 107.04 19.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.455 HG21 ' HE ' ' A' ' 41' ' ' ARG . 2.0 t -94.96 134.99 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.099 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 25.2 p -119.27 24.51 10.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 128.31 -77.57 0.39 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -107.65 -44.2 4.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -100.94 170.64 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -166.01 165.33 18.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 87' ' ' SER . 7.8 t -113.39 -175.45 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.418 ' N ' ' OG1' ' A' ' 86' ' ' THR . 1.4 p -158.19 146.32 18.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.951 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -154.82 106.37 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.087 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.501 ' CE ' ' O ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -54.87 122.23 10.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 18' ' ' GLN . 9.5 tp -102.42 112.84 25.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.8 m -105.35 125.2 50.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.479 ' O ' ' CE ' ' A' ' 71' ' ' MET . 99.0 t -104.04 96.02 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -62.97 110.92 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.66 126.26 26.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.7 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.62 0.724 . . . . 0.0 110.879 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.736 0.303 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -114.45 141.82 47.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 87.0 m-85 -72.54 96.77 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.557 HD11 ' HG2' ' A' ' 31' ' ' GLU . 45.7 pt -65.35 -32.03 56.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -128.08 116.39 19.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -80.97 134.02 35.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.866 HG23 ' HB2' ' A' ' 88' ' ' ALA . 26.0 m -53.24 160.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -101.9 146.51 27.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -40.13 140.87 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.2 tp-100 -98.32 146.81 25.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -159.16 126.17 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.446 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -161.26 147.32 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.3 mtt-85 -72.67 148.73 44.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -43.86 144.57 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.85 30.15 56.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.414 ' C ' HD12 ' A' ' 69' ' ' LEU . . . -123.19 -179.72 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -123.59 106.4 10.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.469 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -60.89 159.68 10.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.403 HG22 ' HG2' ' A' ' 65' ' ' GLN . 3.7 t -144.73 106.9 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.545 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.1 mt -104.21 114.66 29.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.768 ' O ' HG12 ' A' ' 15' ' ' VAL . 84.7 mt-30 -114.65 137.92 51.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.476 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 2.3 p -140.4 178.14 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.557 ' HG2' HD11 ' A' ' 12' ' ' ILE . 28.2 tt0 -141.41 148.99 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.6 mt -120.9 154.26 36.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.421 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -71.07 -20.16 62.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.6 t -153.11 146.75 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.46 115.51 1.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.68 148.92 9.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 175.84 7.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.262 . . . . 0.0 112.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -151.2 -179.33 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -157.06 105.85 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.545 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 76.1 m95 -74.44 131.16 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.522 ' HE ' HG21 ' A' ' 80' ' ' VAL . 35.2 mtt-85 -116.88 178.8 4.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.587 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 9.1 tttp -156.75 105.03 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.8 61.7 5.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.3 m 63.33 48.16 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 2.8 pt-20 -153.38 133.31 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.8 m -89.14 129.36 35.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 mt -100.69 161.05 13.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -140.81 151.02 44.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.618 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -70.26 139.83 52.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.07 -128.34 1.02 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.442 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.69 -69.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.6 mtm-85 -70.27 -35.72 73.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -93.89 150.31 20.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.99 109.78 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.618 HD13 ' CA ' ' A' ' 49' ' ' ASP . 6.7 mp -105.89 107.54 18.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -116.61 131.14 57.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 58' ' ' ASP . 36.4 tt0 -127.54 148.0 50.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.405 ' N ' ' HG2' ' A' ' 57' ' ' GLN . 14.7 t70 -133.59 77.99 1.75 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.48 -85.31 1.42 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.464 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.3 p -114.25 -21.74 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 111.163 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -87.07 145.77 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.8 m -124.71 169.57 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -160.34 130.29 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.664 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.2 tm? -131.98 117.53 18.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.664 ' N ' HD22 ' A' ' 64' ' ' LEU . 18.1 mt-30 -106.32 147.08 29.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.495 HD13 ' CZ ' ' A' ' 77' ' ' TYR . 18.7 mt -127.22 98.52 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -78.67 132.28 36.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.03 47.18 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.446 HD13 ' HB3' ' A' ' 20' ' ' ALA . 50.9 mt -66.46 131.52 46.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.56 168.98 22.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.461 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 12.9 mmt -49.1 -31.65 8.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.26 -44.62 59.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.2 -32.68 49.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.3 m -51.04 113.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.44 -134.13 1.62 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -141.31 120.43 12.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.345 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.587 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 54.6 m-85 -104.05 150.24 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 m -139.7 125.94 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.1 t -94.92 100.28 12.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.522 HG21 ' HE ' ' A' ' 41' ' ' ARG . 2.2 t -88.28 145.8 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 15.5 p -132.05 15.73 4.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.482 ' H ' HG12 ' A' ' 80' ' ' VAL . . . 131.31 -79.25 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -103.08 -45.36 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -100.58 163.51 12.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.417 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 7.6 ptp180 -162.38 154.06 18.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 87' ' ' SER . 5.7 t -108.96 -176.18 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.438 ' N ' ' OG1' ' A' ' 86' ' ' THR . 2.7 p -160.29 152.85 20.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.866 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -157.72 105.97 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.9 mmm -54.9 127.07 27.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.525 HD23 ' CE1' ' A' ' 77' ' ' TYR . 5.4 tp -106.49 115.37 30.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.464 ' N ' HD12 ' A' ' 90' ' ' LEU . 54.6 m -102.38 125.36 49.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.461 ' O ' ' CE ' ' A' ' 71' ' ' MET . 99.8 t -105.33 95.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -67.6 112.87 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.18 141.64 28.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 48.0 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.579 0.704 . . . . 0.0 110.921 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.786 0.327 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -105.8 132.16 52.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 97.3 m-85 -62.84 103.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 13' ' ' GLU . 45.2 pt -72.36 -29.74 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.404 ' N ' HG13 ' A' ' 12' ' ' ILE . 37.6 mt-10 -124.66 118.04 25.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.71 135.03 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.964 HG23 ' HB2' ' A' ' 88' ' ' ALA . 30.4 m -54.71 162.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -101.02 152.77 20.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -46.79 148.82 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.615 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.5 tp-100 -111.04 135.93 50.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -150.58 122.17 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.31 148.52 20.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 mtt85 -70.43 143.92 51.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -39.72 154.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.04 22.72 74.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.09 -177.79 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.883 0.373 . . . . 0.0 111.072 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 m -123.33 108.85 13.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.615 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -72.84 154.97 40.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.074 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.724 HG22 ' HG2' ' A' ' 65' ' ' GLN . 92.4 t -137.88 120.89 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 64' ' ' LEU . 9.6 mt -114.69 111.79 21.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.872 ' O ' HG12 ' A' ' 15' ' ' VAL . 86.8 mt-30 -114.51 142.98 45.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 1.2 p -144.5 -178.8 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -140.5 155.29 46.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD21 ' CE1' ' A' ' 11' ' ' PHE . 8.0 mt -131.24 148.34 52.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.37 -14.9 62.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -161.52 146.08 13.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.42 118.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.468 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -159.99 149.86 14.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.566 0.698 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 176.86 6.17 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.368 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.1 m -151.51 161.03 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.695 ' CG ' HG23 ' A' ' 46' ' ' THR . 38.4 tt0 -132.13 80.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.817 ' CD1' HD22 ' A' ' 55' ' ' LEU . 99.4 m95 -49.81 111.66 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -99.59 -174.58 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.671 ' HB2' HD11 ' A' ' 47' ' ' LEU . 8.8 tmtt? -170.97 128.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.95 40.96 0.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m 75.01 45.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 42' ' ' LYS . 2.8 pt-20 -152.0 132.11 13.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.695 HG23 ' CG ' ' A' ' 39' ' ' GLU . 26.8 m -77.49 131.63 38.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.671 HD11 ' HB2' ' A' ' 42' ' ' LYS . 14.3 mt -105.09 168.81 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -147.24 149.67 33.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.78 137.11 56.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.45 -118.93 0.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.32 -62.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -70.14 -24.93 63.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -114.57 141.31 47.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.62 100.11 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.994 HD23 HD23 ' A' ' 64' ' ' LEU . 8.0 mt -98.28 121.53 40.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -130.11 119.28 22.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 42.0 tt0 -110.88 144.31 40.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -133.4 74.12 1.55 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.41 -86.4 1.46 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.7 p -113.77 -23.66 9.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.857 0.361 . . . . 0.0 111.128 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -85.97 143.77 27.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 61.0 m -121.25 169.04 10.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -161.55 132.46 5.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.994 HD23 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -136.65 116.73 13.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.805 ' N ' HD22 ' A' ' 64' ' ' LEU . 21.8 mt-30 -103.23 145.65 29.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.0 mt -123.27 121.19 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -100.93 119.42 38.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.52 42.89 1.1 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.541 ' CD2' HD21 ' A' ' 90' ' ' LEU . 43.9 mt -61.31 111.72 1.87 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -134.91 159.09 42.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.46 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 11.3 mmt -38.76 -31.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.59 67.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 70' ' ' ALA . 9.4 m-20 -54.33 -35.19 62.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.7 m -47.0 104.44 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.95 -130.77 1.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.492 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -146.9 112.53 5.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 10.5 m-85 -95.98 145.22 25.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 m -135.01 126.34 28.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 t -95.71 100.46 12.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.488 HG13 ' HB3' ' A' ' 85' ' ' ARG . 2.1 t -93.32 138.15 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -110.1 -52.81 2.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.23 -65.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -112.22 -33.12 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -116.08 173.97 6.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.574 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -166.54 172.05 11.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 87' ' ' SER . 7.1 t -118.38 -177.35 3.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.406 ' N ' ' OG1' ' A' ' 86' ' ' THR . 0.6 OUTLIER -161.36 145.41 13.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.964 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -151.1 105.03 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.055 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.7 tpp -52.68 127.74 24.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' A' ' 69' ' ' LEU . 8.3 tp -108.09 109.76 21.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.8 m -96.32 124.24 40.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.46 ' O ' ' CE ' ' A' ' 71' ' ' MET . 86.0 t -103.38 95.48 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 -68.36 111.3 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.19 122.66 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.4 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.619 0.723 . . . . 0.0 110.922 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.78 0.324 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.485 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 16.6 ptt180 -118.44 141.31 48.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.577 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 92.3 m-85 -69.11 102.82 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.566 HD11 ' HG2' ' A' ' 31' ' ' GLU . 44.9 pt -71.26 -28.83 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -131.13 123.68 29.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -84.16 129.06 34.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.81 HG12 ' O ' ' A' ' 29' ' ' GLN . 32.8 m -47.0 159.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -94.79 155.51 16.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -50.96 127.42 18.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.509 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -87.96 136.14 33.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -154.92 125.56 6.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.66 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -156.14 153.74 29.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -75.97 147.28 38.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.468 ' HG3' HG12 ' A' ' 92' ' ' VAL . 17.3 mt-10 -48.26 133.2 15.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.18 28.87 16.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.438 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -127.28 -179.79 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 111.066 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.5 m -121.75 105.31 10.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.409 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -65.1 159.27 23.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.509 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 93.0 t -140.71 105.9 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 6.9 mt -100.75 113.13 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.81 ' O ' HG12 ' A' ' 15' ' ' VAL . 69.4 mt-30 -114.3 144.03 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.422 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 5.0 p -140.61 -178.98 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.566 ' HG2' HD11 ' A' ' 12' ' ' ILE . 9.2 tt0 -139.0 146.91 41.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.1 mt -122.81 153.3 39.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.485 ' ND2' ' HG2' ' A' ' 10' ' ' ARG . 24.5 p-10 -67.57 -24.05 65.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.42 ' C ' HG22 ' A' ' 60' ' ' THR . 8.7 t -152.81 151.96 31.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.94 115.72 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.409 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -164.63 153.13 10.97 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.579 0.705 . . . . 0.0 111.099 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 173.26 11.18 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.358 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.411 HG12 ' HB3' ' A' ' 81' ' ' CYS . 21.4 m -155.38 171.88 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.499 ' CD ' ' N ' ' A' ' 40' ' ' TRP . 1.6 tm-20 -138.82 130.53 27.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.543 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 92.5 m95 -97.29 110.27 22.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.419 ' CG ' ' OE1' ' A' ' 39' ' ' GLU . 63.2 mtm180 -94.22 -174.26 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.542 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 16.4 tttt -167.26 125.69 1.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 37.74 42.75 1.1 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 t 74.96 46.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -152.33 133.05 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.47 HG23 ' CD ' ' A' ' 39' ' ' GLU . 81.0 m -81.94 120.31 25.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.415 HD11 ' HB2' ' A' ' 42' ' ' LYS . 11.3 mt -88.51 163.63 15.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -136.68 146.71 46.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.526 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -69.24 129.56 40.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.02 -139.61 2.71 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.95 -55.29 6.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -75.33 -42.56 54.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -94.62 149.98 20.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -145.95 105.06 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 55' ' ' LEU . 5.8 mp -98.54 105.03 17.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -105.92 178.84 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 43.7 tt0 -175.04 143.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -133.82 72.78 1.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.52 -91.73 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.42 HG22 ' C ' ' A' ' 34' ' ' SER . 5.0 p -108.32 -23.75 11.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.821 0.343 . . . . 0.0 111.115 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -84.41 149.41 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 35.7 m -123.87 172.53 8.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -162.64 138.27 7.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.2 tm? -140.55 116.2 10.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.652 ' N ' HD22 ' A' ' 64' ' ' LEU . 20.0 mt-30 -101.05 143.4 31.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.4 mt -122.56 95.89 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.2 mtp85 -75.89 122.92 24.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.24 56.83 0.82 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.66 HD13 ' HB3' ' A' ' 20' ' ' ALA . 51.0 mt -73.78 114.94 12.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.338 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.84 162.28 33.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.8 mmt -42.04 -41.32 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.59 98.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.4 -29.34 64.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.9 m -52.74 104.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.58 -137.98 2.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -133.95 132.34 40.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.542 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 16.3 m-85 -115.6 140.52 49.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.4 m -133.27 125.89 30.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.562 ' HB3' HG22 ' A' ' 86' ' ' THR . 9.1 t -95.04 113.08 24.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 t -101.63 132.93 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 19.4 p -121.0 28.4 7.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.93 -82.7 0.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -103.04 -48.0 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 110.931 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -93.23 168.94 10.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.577 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 2.9 ptp180 -167.44 159.49 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.562 HG22 ' HB3' ' A' ' 79' ' ' CYS . 7.7 t -111.37 -178.74 3.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.1 147.39 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.718 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -162.39 110.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.074 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.22 127.79 33.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.433 HD23 ' CE1' ' A' ' 77' ' ' TYR . 4.8 tp -100.95 113.77 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 35.2 m -98.94 124.03 43.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.468 HG12 ' HG3' ' A' ' 22' ' ' GLU . 98.3 t -105.15 88.49 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -57.29 108.52 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.78 129.03 40.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.903 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.781 0.324 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 ptt-85 -115.14 127.06 55.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 89.7 m-85 -57.63 101.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 13' ' ' GLU . 46.3 pt -68.78 -31.7 51.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.423 ' N ' HG13 ' A' ' 12' ' ' ILE . 4.5 mm-40 -125.68 132.53 52.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.59 125.99 39.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.822 HG23 ' HB2' ' A' ' 88' ' ' ALA . 19.3 m -44.77 159.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -97.76 148.78 23.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -42.87 157.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.651 ' HB3' HD13 ' A' ' 90' ' ' LEU . 5.6 tp-100 -116.86 115.6 25.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -124.85 103.99 8.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.21 153.33 43.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.043 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -86.27 156.49 20.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.546 ' HG3' HG12 ' A' ' 92' ' ' VAL . 23.0 mt-10 -52.21 133.12 34.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.03 27.54 15.99 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -125.37 179.84 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.8 m -120.03 105.63 11.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.122 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.498 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -64.35 154.98 33.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.626 HG22 ' HG2' ' A' ' 65' ' ' GLN . 57.6 t -139.95 114.57 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.532 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 11.6 mt -114.73 114.21 25.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.797 ' O ' HG12 ' A' ' 15' ' ' VAL . 76.2 mt-30 -116.72 142.79 46.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.427 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 3.3 p -140.63 171.74 13.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -132.32 154.54 49.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.535 HD21 ' CE1' ' A' ' 11' ' ' PHE . 9.1 mt -131.09 148.48 52.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -20.42 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.3 t -156.58 141.53 17.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.585 ' N ' HG22 ' A' ' 60' ' ' THR . . . -39.44 109.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.07 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.07 149.74 30.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 111.089 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 176.37 6.81 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.736 2.291 . . . . 0.0 112.343 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.463 HG11 ' SG ' ' A' ' 62' ' ' CYS . 21.2 m -154.72 159.58 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.555 ' CG ' HG23 ' A' ' 46' ' ' THR . 32.8 tt0 -135.04 85.65 2.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.583 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 97.5 m95 -53.03 118.76 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.435 ' NE ' HG21 ' A' ' 80' ' ' VAL . 94.3 mtt180 -106.92 -178.84 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.574 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 5.9 tmtt? -167.03 131.32 1.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.95 52.3 0.67 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m 64.67 52.76 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 110.834 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -158.28 154.96 28.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.555 HG23 ' CG ' ' A' ' 39' ' ' GLU . 96.8 m -96.34 134.59 39.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.128 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.485 HD12 ' HB3' ' A' ' 40' ' ' TRP . 17.3 mt -100.22 163.52 12.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.9 mmm-85 -147.19 159.76 43.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.544 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -80.37 147.09 31.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.9 -131.76 1.37 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.498 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -88.36 -44.66 10.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -87.77 -38.1 16.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -92.72 158.54 15.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -151.01 105.07 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.805 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.544 HD13 ' N ' ' A' ' 49' ' ' ASP . 6.6 mp -103.31 103.48 13.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -110.5 174.83 5.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -170.34 137.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -123.02 75.19 1.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.01 -85.46 1.57 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.585 HG22 ' N ' ' A' ' 35' ' ' ALA . 54.8 p -111.87 -23.68 10.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.379 . . . . 0.0 111.155 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -85.39 141.22 30.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.463 ' SG ' HG11 ' A' ' 38' ' ' VAL . 17.0 m -117.44 172.07 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -160.61 136.87 8.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.59 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.2 tm? -140.09 112.95 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.626 ' HG2' HG22 ' A' ' 27' ' ' VAL . 25.6 mt-30 -103.28 142.6 33.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.2 mt -123.26 97.51 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -78.74 131.6 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.44 50.97 2.63 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.1 mt -62.78 149.36 44.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -158.26 170.93 21.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.0 mmt -53.45 -51.12 63.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.93 -44.7 50.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -55.23 -27.45 46.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.6 m -55.71 102.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.87 -128.33 0.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -138.91 129.02 25.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.574 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 27.5 m-85 -112.36 137.24 50.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 m -134.68 130.92 37.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 t -99.88 109.16 21.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.469 HG13 ' HB3' ' A' ' 85' ' ' ARG . 1.6 t -98.36 138.58 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.4 -43.54 3.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.42 -64.06 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -106.14 -39.09 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.907 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -115.84 169.55 9.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 8.8 ptp180 -160.22 166.84 28.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 87' ' ' SER . 5.4 t -114.96 -178.0 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.164 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.432 ' N ' ' OG1' ' A' ' 86' ' ' THR . 0.9 OUTLIER -156.65 148.11 22.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.822 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -160.2 106.88 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.7 tpp -56.97 137.96 54.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.651 HD13 ' HB3' ' A' ' 18' ' ' GLN . 6.9 tp -114.27 103.13 10.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.2 m -90.36 117.37 29.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.546 HG12 ' HG3' ' A' ' 22' ' ' GLU . 90.2 t -96.75 86.79 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -58.62 104.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.89 139.39 17.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.8 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.581 0.705 . . . . 0.0 110.951 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.818 0.342 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 -120.93 136.67 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 92.3 m-85 -63.65 101.24 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 45.9 pt -70.63 -31.37 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -124.93 117.17 23.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.42 136.89 35.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.813 HG12 ' O ' ' A' ' 29' ' ' GLN . 22.3 m -56.47 165.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -106.73 150.91 25.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -42.53 152.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.597 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 5.8 tp-100 -114.33 113.73 24.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -123.88 103.05 8.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.7 149.47 47.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -77.05 154.35 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.671 ' O ' HD11 ' A' ' 95' ' ' LEU . 15.0 mt-10 -53.09 140.76 24.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.03 28.85 39.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -125.41 -175.6 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 111.072 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.5 m -123.78 107.43 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.597 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -62.35 168.67 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.416 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 24.0 t -149.92 112.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.179 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.591 HD12 HD12 ' A' ' 64' ' ' LEU . 10.1 mt -112.51 108.49 17.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.813 ' O ' HG12 ' A' ' 15' ' ' VAL . 84.7 mt-30 -110.99 139.61 46.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.517 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 8.0 p -142.34 168.6 19.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -130.29 153.43 48.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.0 mt -123.91 153.26 41.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.454 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -68.61 -20.8 64.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 t -156.6 145.73 20.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.83 117.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -164.95 151.45 9.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 175.76 7.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m -151.3 171.39 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -146.56 106.21 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.767 ' CD1' HD22 ' A' ' 55' ' ' LEU . 86.8 m95 -73.74 120.97 20.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -112.4 -178.82 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.583 ' HD2' ' CE1' ' A' ' 77' ' ' TYR . 13.1 tttp -162.22 128.82 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 32.61 55.48 0.47 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.45 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m 64.53 52.7 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -154.99 138.3 15.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.0 m -89.66 129.56 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 42' ' ' LYS . 8.7 mt -100.32 171.74 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 4.9 mmm180 -152.82 146.75 25.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.15 137.18 57.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.75 -128.07 0.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.14 -55.81 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.9 mtm-85 -75.29 -44.5 45.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -92.17 139.94 30.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.7 97.63 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.821 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.024 HD23 HD23 ' A' ' 64' ' ' LEU . 4.6 mt -94.47 121.69 36.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -129.79 117.94 21.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -112.39 142.55 44.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -134.58 76.07 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.18 -90.72 1.57 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.436 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.4 p -110.57 -22.94 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -86.65 148.1 25.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 64.9 m -129.23 170.3 13.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 35.1 tt0 -162.49 134.06 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.024 HD23 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -135.83 110.45 8.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.657 ' N ' HD22 ' A' ' 64' ' ' LEU . 26.4 mt-30 -96.7 147.57 23.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.55 HD13 ' CZ ' ' A' ' 77' ' ' TYR . 42.7 mt -125.72 100.92 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -85.7 123.37 31.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.35 47.18 1.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.656 HD21 HD21 ' A' ' 90' ' ' LEU . 28.9 mt -65.16 142.72 58.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.754 0.311 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.24 158.06 23.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.9 mmt -42.44 -31.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.61 -44.78 61.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.41 -32.9 51.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.2 m -47.08 117.12 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -168.15 -138.49 2.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -137.19 118.56 14.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.354 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.583 ' CE1' ' HD2' ' A' ' 42' ' ' LYS . 86.3 m-85 -100.2 139.3 36.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -132.62 121.11 22.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.0 t -93.61 104.68 16.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.0 t -93.38 135.11 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.587 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 19.2 p -107.55 -39.69 5.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 179.05 -64.31 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -103.28 -39.52 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -118.63 170.21 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 3.6 ptt-85 -158.27 166.03 33.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.5 t -116.64 -176.86 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.06 149.34 21.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.808 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -159.29 105.06 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.9 tpp -56.94 129.38 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.656 HD21 HD21 ' A' ' 69' ' ' LEU . 9.4 tp -104.97 100.41 10.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 48.7 m -88.01 111.51 21.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.595 HG22 HD22 ' A' ' 69' ' ' LEU . 81.6 t -88.07 89.18 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -56.32 110.87 0.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.66 135.09 57.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.671 HD11 ' O ' ' A' ' 22' ' ' GLU . 17.4 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.6 0.714 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.766 0.317 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -114.14 134.38 54.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 59.0 m-85 -61.55 93.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.658 HD11 ' HG2' ' A' ' 31' ' ' GLU . 46.4 pt -60.58 -27.6 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -129.85 137.14 50.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.0 126.8 50.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.78 HG12 ' O ' ' A' ' 29' ' ' GLN . 16.0 m -47.9 166.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -176.04 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -69.46 137.46 52.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.531 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.2 tp-100 -100.81 131.0 46.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -141.98 130.36 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.478 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -162.96 144.92 10.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -73.03 144.29 47.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.74 ' O ' HD11 ' A' ' 95' ' ' LEU . 34.7 mt-10 -40.55 139.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.23 25.63 50.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.465 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -117.7 -177.09 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.4 m -125.83 101.57 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.531 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -56.88 160.87 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.3 t -145.64 107.02 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.669 HD12 HD12 ' A' ' 64' ' ' LEU . 10.7 mt -104.55 117.02 33.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.78 ' O ' HG12 ' A' ' 15' ' ' VAL . 76.8 mt-30 -113.71 142.16 46.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 p -146.81 177.19 9.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.658 ' HG2' HD11 ' A' ' 12' ' ' ILE . 4.2 tt0 -135.95 159.45 41.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.479 HD11 ' CG1' ' A' ' 38' ' ' VAL . 31.7 mt -127.44 152.99 46.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.472 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -73.41 -1.99 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.511 ' C ' HG22 ' A' ' 60' ' ' THR . 1.1 m -174.45 150.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.07 113.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -167.72 150.2 5.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 176.51 6.71 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG1' HD11 ' A' ' 32' ' ' LEU . 24.1 m -155.95 -176.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -151.54 125.64 9.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.582 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 89.7 m95 -90.27 115.51 27.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -101.57 -173.9 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.513 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 3.4 tttm -170.28 126.0 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.77 54.09 1.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.49 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m 64.26 49.87 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' CD ' ' HB3' ' A' ' 42' ' ' LYS . 2.1 pt-20 -152.02 139.09 19.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.4 m -92.38 120.39 32.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.7 mt -88.12 164.96 15.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -143.01 150.05 39.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.491 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -69.84 128.03 34.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -158.15 -143.0 3.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -73.66 -51.17 17.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -81.1 -40.91 23.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -95.44 151.45 19.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.19 105.44 3.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 55' ' ' LEU . 6.6 mp -102.48 102.71 13.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -108.04 175.98 5.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 58' ' ' ASP . 5.2 tt0 -170.28 145.66 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.424 ' N ' ' HG2' ' A' ' 57' ' ' GLN . 1.6 t70 -133.03 74.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.48 -88.28 1.57 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.511 HG22 ' C ' ' A' ' 34' ' ' SER . 14.0 p -111.31 -25.0 9.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 111.118 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -83.44 155.64 23.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.5 m -131.31 173.31 11.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -163.4 130.19 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.669 HD12 HD12 ' A' ' 28' ' ' LEU . 1.1 tm? -129.44 118.88 22.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.649 ' N ' HD22 ' A' ' 64' ' ' LEU . 33.1 mt-30 -105.63 139.52 40.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.9 mt -121.19 95.8 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -81.19 128.82 34.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.18 43.89 2.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' A' ' 20' ' ' ALA . 65.5 mt -61.7 143.0 56.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 110.932 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -160.56 160.16 31.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.8 mmt -37.69 -45.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.39 -43.17 88.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER -56.03 -31.85 63.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.8 m -50.0 104.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.09 -141.35 3.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.71 142.4 50.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.513 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 21.1 m-85 -125.08 139.76 53.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 m -130.96 121.66 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.407 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 5.6 t -92.32 106.06 18.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 t -93.07 142.24 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 25.9 p -118.84 -31.38 4.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 174.68 -70.95 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -104.66 -33.55 8.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -117.24 162.87 17.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.531 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 4.8 ptp180 -158.8 157.35 31.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.8 t -104.41 -177.58 3.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 p -161.3 143.36 11.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.519 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -164.29 123.06 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.064 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 19.6 mtp -67.64 147.73 52.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.406 HD21 ' CD2' ' A' ' 69' ' ' LEU . 4.7 tp -119.49 108.27 14.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 64.5 m -89.94 127.38 36.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.409 HG12 ' HG3' ' A' ' 22' ' ' GLU . 86.6 t -108.71 86.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -57.38 103.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.408 ' HA ' ' CD ' ' A' ' 22' ' ' GLU . . . -49.89 143.33 7.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.74 HD11 ' O ' ' A' ' 22' ' ' GLU . 15.2 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.808 0.337 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -118.92 126.39 51.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 97.4 m-85 -50.16 96.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 44.3 pt -64.37 -31.49 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.426 ' N ' HG13 ' A' ' 12' ' ' ILE . 22.7 mm-40 -122.88 128.9 50.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -90.12 134.67 34.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.942 HG12 ' O ' ' A' ' 29' ' ' GLN . 33.2 m -55.59 163.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -102.26 150.73 23.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -42.16 161.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.553 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.5 tp-100 -126.07 132.01 52.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -146.39 134.72 21.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.11 152.66 3.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -78.61 151.23 32.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.695 ' O ' HD11 ' A' ' 95' ' ' LEU . 13.8 mt-10 -44.44 144.88 0.94 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.55 28.92 56.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.562 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -118.54 -174.83 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.898 0.38 . . . . 0.0 111.073 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.5 m -128.94 106.77 9.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.553 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -69.74 154.93 41.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.051 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.65 HG22 ' HG2' ' A' ' 65' ' ' GLN . 95.3 t -138.66 118.96 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.462 HD12 HD12 ' A' ' 64' ' ' LEU . 9.4 mt -117.7 112.76 20.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.942 ' O ' HG12 ' A' ' 15' ' ' VAL . 78.4 mt-30 -114.1 145.04 42.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.453 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 3.9 p -147.28 169.47 19.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -131.58 148.66 52.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD21 ' CE1' ' A' ' 11' ' ' PHE . 12.1 mt -120.55 147.43 45.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.2 t30 -58.81 -22.92 59.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' ALA . 12.1 t -162.46 144.93 11.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.52 ' N ' HG22 ' A' ' 60' ' ' THR . . . -34.06 117.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.423 ' HB3' HD13 ' A' ' 32' ' ' LEU . . . -159.83 148.89 14.05 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.577 0.703 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.434 ' O ' HG13 ' A' ' 38' ' ' VAL . 53.4 Cg_endo -69.82 178.49 4.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.645 2.23 . . . . 0.0 112.308 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 37' ' ' PRO . 18.8 m -156.99 159.8 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.662 ' CG ' HG23 ' A' ' 46' ' ' THR . 32.4 tt0 -134.7 85.97 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.879 ' CD1' HD22 ' A' ' 55' ' ' LEU . 99.3 m95 -53.21 113.96 1.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -102.71 -176.85 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.526 ' HB2' HD11 ' A' ' 47' ' ' LEU . 34.2 tttt -168.83 130.6 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.7 45.26 0.36 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.537 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m 70.82 50.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 110.856 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -156.63 130.35 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.662 HG23 ' CG ' ' A' ' 39' ' ' GLU . 53.5 m -75.82 134.24 40.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' ' 42' ' ' LYS . 7.7 mt -106.78 165.27 11.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -147.29 150.36 34.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -64.11 137.91 58.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.68 -126.98 0.87 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -88.47 -49.21 7.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.812 0.339 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -82.48 -41.2 20.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -94.34 139.99 30.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.43 96.82 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.972 HD23 HD23 ' A' ' 64' ' ' LEU . 5.8 mt -93.56 120.64 34.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -129.59 112.52 13.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -107.19 140.5 39.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -128.88 78.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.84 -89.18 1.25 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.52 HG22 ' N ' ' A' ' 35' ' ' ALA . 23.0 p -109.34 -25.85 10.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 111.147 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -83.34 155.04 23.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.7 m -133.16 173.3 11.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 40.0 tt0 -165.1 138.64 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.972 HD23 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -141.69 114.3 8.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.65 ' HG2' HG22 ' A' ' 27' ' ' VAL . 43.4 mt-30 -102.5 146.52 28.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.4 mt -123.16 99.64 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -80.02 123.04 27.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.41 54.86 1.13 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.562 HD12 ' HB3' ' A' ' 24' ' ' ALA . 43.4 mt -67.43 112.27 4.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -122.95 146.9 47.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.427 ' SD ' ' HB2' ' A' ' 94' ' ' ALA . 77.0 mmm -38.23 -39.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.63 98.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 70' ' ' ALA . 87.8 m-20 -54.53 -36.82 64.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.5 m -39.71 114.11 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.74 -140.85 2.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.445 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -135.94 114.66 11.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 42' ' ' LYS . 22.7 m-85 -97.22 140.81 31.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -133.29 124.55 27.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.0 t -94.93 100.19 12.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.477 ' HA ' ' CB ' ' A' ' 85' ' ' ARG . 2.4 t -94.01 137.82 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.63 -53.66 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -161.64 -61.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -108.9 -38.03 5.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.741 0.305 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -117.3 172.58 7.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.578 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -165.27 171.05 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.2 t -123.94 179.67 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 p -158.07 155.74 29.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.794 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -157.66 105.23 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 71.1 mmm -52.28 126.96 20.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.469 HD23 ' CE1' ' A' ' 77' ' ' TYR . 6.5 tp -108.22 115.7 30.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.434 ' N ' HD12 ' A' ' 90' ' ' LEU . 86.7 m -102.15 126.14 49.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.4 t -107.44 96.95 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -70.6 113.93 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.427 ' HB2' ' SD ' ' A' ' 71' ' ' MET . . . -52.54 147.7 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.695 HD11 ' O ' ' A' ' 22' ' ' GLU . 36.1 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.565 0.698 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 14.3 ptt-85 -108.67 148.44 30.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 73.5 m-85 -74.08 93.1 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.441 HG13 ' N ' ' A' ' 13' ' ' GLU . 40.3 pt -60.1 -32.82 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.441 ' N ' HG13 ' A' ' 12' ' ' ILE . 13.9 mm-40 -124.67 134.06 53.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.62 129.39 42.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.938 HG12 ' O ' ' A' ' 29' ' ' GLN . 34.0 m -47.33 162.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -98.64 152.97 19.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -47.65 127.2 11.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.504 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -88.68 133.92 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -155.37 125.56 6.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.439 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -156.0 150.42 25.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.9 ptt85 -73.01 151.89 41.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -51.13 137.55 21.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.14 32.86 16.01 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -132.04 -178.28 4.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.8 m -125.4 103.26 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HB1' ' OE1' ' A' ' 18' ' ' GLN . . . -58.59 162.04 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.818 HG22 ' HG2' ' A' ' 65' ' ' GLN . 82.1 t -143.22 106.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.458 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 7.7 mt -102.11 117.75 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.938 ' O ' HG12 ' A' ' 15' ' ' VAL . 75.6 mt-30 -116.68 145.51 43.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.5 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 3.5 p -146.7 174.37 11.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.433 ' HG2' HD11 ' A' ' 12' ' ' ILE . 24.4 tt0 -134.71 160.5 37.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.8 mt -133.4 153.25 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -66.61 -24.42 66.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 t -152.95 152.25 31.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.24 111.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -158.87 151.03 17.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 176.04 7.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.8 m -150.31 176.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 80' ' ' VAL . 9.0 tt0 -150.5 105.29 3.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.773 ' CD1' HD22 ' A' ' 55' ' ' LEU . 83.7 m95 -72.82 128.13 34.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -111.68 169.54 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.426 ' HB2' HD21 ' A' ' 47' ' ' LEU . 18.6 tttt -134.98 92.71 2.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.38 -82.23 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.5 p -135.01 30.21 3.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.845 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -141.2 173.77 11.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.459 HG23 ' HG2' ' A' ' 39' ' ' GLU . 26.1 m -114.88 140.59 48.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' A' ' 42' ' ' LYS . 15.8 mt -105.73 165.6 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -151.43 143.25 23.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -52.73 120.93 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.31 -128.21 1.54 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -88.05 -56.91 3.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -74.52 -42.52 58.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -89.94 138.19 31.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.13 97.08 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.863 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.976 HD23 HD23 ' A' ' 64' ' ' LEU . 6.0 mt -93.6 119.29 32.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -129.49 109.63 11.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.454 ' HG2' ' N ' ' A' ' 58' ' ' ASP . 4.6 tt0 -106.68 146.09 31.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 57' ' ' GLN . 8.0 t0 -133.86 71.76 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.19 -89.93 1.63 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.0 p -109.83 -23.75 11.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.117 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -87.28 151.1 23.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 58.3 m -128.8 175.21 8.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -166.92 123.35 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.976 HD23 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -128.0 117.32 21.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.818 ' HG2' HG22 ' A' ' 27' ' ' VAL . 29.1 mt-30 -106.25 149.28 27.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.2 mt -124.12 95.51 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -75.53 126.43 30.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.403 ' O ' ' OD2' ' A' ' 73' ' ' ASP . . . 97.88 53.87 1.26 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.518 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.439 HD13 ' HB3' ' A' ' 20' ' ' ALA . 53.1 mt -69.66 143.9 53.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.03 171.39 17.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.407 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 12.7 mmt -53.48 -38.89 64.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.99 -43.36 88.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.403 ' OD2' ' O ' ' A' ' 68' ' ' GLY . 75.9 m-20 -53.98 -36.49 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.0 m -43.54 105.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.31 -144.76 4.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -131.88 133.01 44.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.492 ' CE1' HD23 ' A' ' 90' ' ' LEU . 15.4 m-85 -117.94 142.86 46.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -134.36 119.62 18.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.554 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 2.3 t -87.37 99.01 11.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.841 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 39' ' ' GLU . 2.3 t -87.05 134.0 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 25.4 p -111.03 -37.52 5.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -179.02 -77.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -96.51 -31.71 12.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.431 ' CG ' ' HA ' ' A' ' 10' ' ' ARG . 1.1 pm0 -121.24 167.88 12.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.54 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 7.2 ptp180 -159.96 158.74 31.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.8 t -108.11 176.89 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 p -155.34 149.1 25.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.685 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -158.52 115.46 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 70.2 mmm -62.74 121.85 14.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.492 HD23 ' CE1' ' A' ' 77' ' ' TYR . 5.4 tp -98.06 110.73 23.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 73.1 m -100.26 129.04 46.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.407 ' O ' ' CE ' ' A' ' 71' ' ' MET . 85.3 t -107.65 96.46 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -67.81 112.87 5.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.3 132.27 53.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.956 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.786 0.326 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -118.13 133.15 56.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.584 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 81.7 m-85 -66.82 103.94 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.68 HD11 ' HG2' ' A' ' 31' ' ' GLU . 45.5 pt -70.59 -32.05 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.422 ' N ' HG13 ' A' ' 12' ' ' ILE . 11.2 mm-40 -128.3 131.62 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -91.69 135.95 33.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.978 HG12 ' O ' ' A' ' 29' ' ' GLN . 31.5 m -56.0 163.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -102.93 147.12 27.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -39.51 152.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -114.42 131.62 56.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -148.45 128.39 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.01 150.42 9.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -73.85 148.3 42.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -44.27 146.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.84 30.95 55.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.29 -179.62 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 111.093 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.5 m -121.87 102.38 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.47 169.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -153.95 108.93 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.438 HD12 HD12 ' A' ' 64' ' ' LEU . 10.1 mt -111.79 107.96 17.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.978 ' O ' HG12 ' A' ' 15' ' ' VAL . 77.0 mt-30 -108.74 145.12 35.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.457 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 7.1 p -147.1 173.18 12.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.68 ' HG2' HD11 ' A' ' 12' ' ' ILE . 23.6 tt0 -134.03 150.07 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.422 HD11 ' CG1' ' A' ' 38' ' ' VAL . 14.1 mt -120.0 150.13 41.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.485 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -67.91 -20.42 65.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.8 t -153.29 145.43 23.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.03 115.45 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.6 151.38 7.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.534 0.683 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 170.06 17.55 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.633 2.222 . . . . 0.0 112.345 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.422 ' CG1' HD11 ' A' ' 32' ' ' LEU . 21.9 m -148.12 178.44 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.412 ' CG ' HG23 ' A' ' 46' ' ' THR . 2.6 tp10 -145.5 124.97 13.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.749 ' CD1' HD22 ' A' ' 55' ' ' LEU . 84.5 m95 -91.58 113.07 25.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.651 ' HE ' HG21 ' A' ' 80' ' ' VAL . 34.3 mtt-85 -100.64 -179.06 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.605 ' HB2' HD11 ' A' ' 47' ' ' LEU . 5.3 tttm -171.42 113.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.06 41.81 60.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 t 71.33 49.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -152.5 128.69 10.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.412 HG23 ' CG ' ' A' ' 39' ' ' GLU . 53.3 m -79.13 124.6 28.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' A' ' 42' ' ' LYS . 13.7 mt -99.33 160.37 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.501 ' HA ' HD11 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -138.43 169.65 17.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.18 128.22 34.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.09 -129.83 1.17 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -84.65 -56.03 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 mtm105 -76.86 -42.06 41.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -93.77 141.36 28.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.28 101.75 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.111 HD23 HD23 ' A' ' 64' ' ' LEU . 2.1 mt -97.82 118.85 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -117.92 177.69 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.794 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -171.55 135.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -125.47 68.48 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.12 -85.05 1.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.2 p -112.58 -23.06 10.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -85.96 149.09 25.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.2 m -128.55 166.48 18.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -153.19 152.32 31.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.111 HD23 HD23 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -151.58 111.56 4.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.574 ' N ' HD22 ' A' ' 64' ' ' LEU . 14.7 mt-30 -97.19 149.52 21.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.407 HD13 ' CZ ' ' A' ' 77' ' ' TYR . 26.6 mt -127.56 93.42 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -75.94 134.85 40.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.11 42.83 4.24 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.92 111.41 1.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 110.929 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.19 162.63 27.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 11.6 mmt -43.18 -34.39 1.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.73 -43.55 72.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.15 -33.2 62.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.0 m -46.58 105.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.33 -153.72 7.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -123.0 129.38 51.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.668 ' CE1' HD23 ' A' ' 90' ' ' LEU . 21.3 m-85 -112.79 142.27 45.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.0 m -132.31 122.04 24.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 t -91.91 106.63 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.651 HG21 ' HE ' ' A' ' 41' ' ' ARG . 2.8 t -93.05 144.35 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.584 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 17.1 p -131.83 38.46 3.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.12 -76.85 0.31 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -114.99 -46.58 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -95.7 166.45 11.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.572 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -163.56 166.45 22.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.0 t -113.32 -174.94 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 p -160.86 146.81 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.813 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -156.16 105.6 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 70.4 mmm -51.15 134.55 26.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.668 HD23 ' CE1' ' A' ' 77' ' ' TYR . 6.8 tp -115.69 116.86 28.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.7 m -105.28 130.22 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.433 ' O ' ' CE ' ' A' ' 71' ' ' MET . 61.3 t -107.55 90.39 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -59.99 107.45 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.35 128.64 35.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.628 0.727 . . . . 0.0 110.936 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.758 0.313 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.426 ' HA ' ' CD ' ' A' ' 84' ' ' GLU . 5.4 ptp85 -109.79 138.27 46.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.595 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 65.0 m-85 -74.07 100.54 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.478 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 42.9 pt -71.38 -28.18 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -126.31 128.76 47.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -93.67 138.24 32.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.954 HG12 ' O ' ' A' ' 29' ' ' GLN . 21.0 m -59.54 158.85 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 25.6 mmtp -92.85 167.18 12.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.69 127.22 30.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.504 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -83.8 133.0 34.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -153.06 107.73 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.51 164.53 29.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -82.81 155.54 24.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' HG3' HG12 ' A' ' 92' ' ' VAL . 14.8 mt-10 -55.82 139.75 44.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.54 -0.5 88.31 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.07 179.32 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.7 m -117.43 111.24 19.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.93 159.08 29.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.645 HG22 ' HG2' ' A' ' 65' ' ' GLN . 92.1 t -142.74 112.28 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 8.3 mt -110.81 113.59 26.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.954 ' O ' HG12 ' A' ' 15' ' ' VAL . 79.4 mt-30 -111.02 151.04 28.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.39 179.08 9.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -142.24 149.77 40.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 mt -121.79 151.97 40.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.478 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -71.22 -11.19 60.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.0 t -162.72 140.93 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.65 119.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.19 151.66 7.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.572 0.701 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 177.35 5.65 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.5 m -150.83 164.47 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.635 ' CG ' HG23 ' A' ' 46' ' ' THR . 33.1 tt0 -135.02 93.67 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.545 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 99.5 m95 -64.2 118.26 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.584 ' CZ ' HG21 ' A' ' 80' ' ' VAL . 82.4 mtt180 -106.24 -174.74 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.596 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 8.3 tmtt? -169.09 133.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.45 49.83 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.4 m 66.48 51.86 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' OE2' ' CD ' ' A' ' 42' ' ' LYS . 2.1 pt-20 -156.49 142.47 18.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.635 HG23 ' CG ' ' A' ' 39' ' ' GLU . 86.5 m -89.18 131.15 35.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.9 mt -100.77 166.76 10.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.962 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -141.71 153.08 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.701 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -72.53 118.01 14.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -145.81 -139.87 3.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -76.57 -54.18 7.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.861 0.362 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -74.84 -42.43 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -90.72 140.19 30.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.472 ' C ' HD12 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -134.52 112.12 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.822 -179.826 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.701 HD13 ' CB ' ' A' ' 49' ' ' ASP . 2.7 mp -103.91 113.65 27.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -120.61 120.29 35.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -118.06 145.24 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -131.87 67.58 1.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.13 -82.52 1.61 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 52.2 p -116.23 -17.43 10.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.351 . . . . 0.0 111.114 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -89.24 146.54 24.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 21.9 m -125.91 162.13 25.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -158.38 124.31 4.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.678 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -123.87 118.82 27.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.678 ' N ' HD22 ' A' ' 64' ' ' LEU . 21.4 mt-30 -107.19 134.66 49.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.3 mt -113.43 99.07 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.1 mtp85 -77.99 123.96 27.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.71 53.7 1.29 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.0 mt -67.62 138.56 56.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -148.33 171.88 15.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.465 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 7.6 mmt -56.65 -42.21 78.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.11 -37.02 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -62.07 -29.5 70.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.3 m -53.35 111.63 0.74 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.093 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.28 -125.7 0.82 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -145.03 123.7 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.639 ' CE1' HD23 ' A' ' 90' ' ' LEU . 2.0 m-85 -107.83 149.38 28.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 86' ' ' THR . 1.6 m -138.54 128.34 25.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.2 t -102.09 105.43 16.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.584 HG21 ' CZ ' ' A' ' 41' ' ' ARG . 1.9 t -93.25 148.97 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.595 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 29.4 p -122.9 -39.85 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.85 -71.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -100.54 -40.42 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.942 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.426 ' CD ' ' HA ' ' A' ' 10' ' ' ARG . 7.2 pt-20 -117.52 175.09 5.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -161.42 171.38 18.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 78' ' ' SER . 6.8 t -127.92 159.86 33.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.37 159.15 42.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.891 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -156.46 107.06 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.09 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 58.4 mmm -48.6 120.28 3.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.639 HD23 ' CE1' ' A' ' 77' ' ' TYR . 3.8 tp -100.49 121.93 42.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.601 ' N ' HD12 ' A' ' 90' ' ' LEU . 3.2 m -112.96 118.46 34.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.465 ' O ' ' CE ' ' A' ' 71' ' ' MET . 78.7 t -95.17 103.3 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -70.26 104.05 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.79 127.25 22.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.7 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 110.938 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.768 0.318 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -114.3 144.2 43.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.594 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 80.4 m-85 -70.42 102.36 2.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 43.3 pt -71.6 -30.13 37.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 12' ' ' ILE . 11.9 mm-40 -125.38 129.38 49.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -91.46 131.4 36.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.892 HG12 ' O ' ' A' ' 29' ' ' GLN . 32.7 m -55.06 159.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -97.64 150.9 20.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -45.19 139.52 3.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.542 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.6 tp-100 -99.33 136.31 39.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -152.05 119.65 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.69 145.79 24.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -69.37 145.77 52.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.476 ' O ' HD11 ' A' ' 95' ' ' LEU . 24.5 mt-10 -40.86 149.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.69 31.02 67.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.6 179.19 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.2 m -121.88 102.97 8.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.542 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -59.28 159.6 7.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.56 HG22 ' HG2' ' A' ' 65' ' ' GLN . 18.3 t -142.78 110.45 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.583 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 9.9 mt -107.96 112.58 25.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.892 ' O ' HG12 ' A' ' 15' ' ' VAL . 81.8 mt-30 -111.56 139.81 46.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.49 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 8.1 p -144.29 172.3 13.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -135.35 149.63 49.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 mt -122.25 151.23 41.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.477 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.0 OUTLIER -65.64 -23.89 66.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.414 ' C ' HG22 ' A' ' 60' ' ' THR . 8.6 t -150.53 142.36 23.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.583 ' N ' HG22 ' A' ' 60' ' ' THR . . . -47.35 116.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.067 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.56 154.96 14.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.551 0.691 . . . . 0.0 111.122 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 177.18 5.88 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.0 m -154.97 -179.29 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 80' ' ' VAL . 26.5 tt0 -151.82 107.46 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.685 ' HB3' HD12 ' A' ' 47' ' ' LEU . 92.3 m95 -75.74 119.16 19.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.505 ' HE ' HG21 ' A' ' 80' ' ' VAL . 84.1 mtt-85 -108.38 175.91 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.472 ' HD2' ' CZ ' ' A' ' 77' ' ' TYR . 5.9 tttm -169.14 105.05 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.48 48.48 43.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 p 63.86 28.78 14.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.853 0.359 . . . . 0.0 110.906 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 46' ' ' THR . 3.5 pt-20 -121.23 175.78 5.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.46 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 24.4 m -124.2 111.51 15.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 40' ' ' TRP . 11.4 mt -75.06 165.61 24.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -150.24 149.13 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.59 ' CA ' HD13 ' A' ' 55' ' ' LEU . 34.8 t0 -75.42 139.0 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.16 -118.88 0.46 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -97.14 -65.25 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -65.7 -31.93 73.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.411 ' CE2' HG12 ' A' ' 66' ' ' ILE . 29.1 m-85 -99.91 162.37 13.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -154.82 105.46 2.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.59 HD13 ' CA ' ' A' ' 49' ' ' ASP . 6.5 mp -101.52 101.82 12.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -103.61 175.46 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -168.99 139.42 2.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -130.2 77.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.45 -87.09 1.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.583 HG22 ' N ' ' A' ' 35' ' ' ALA . 39.3 p -113.98 -22.73 9.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 111.131 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -85.68 148.62 25.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.5 m -126.83 170.12 12.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -159.76 128.18 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.639 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.4 tm? -128.24 119.42 25.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.639 ' N ' HD22 ' A' ' 64' ' ' LEU . 28.0 mt-30 -108.06 136.54 47.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.411 HG12 ' CE2' ' A' ' 53' ' ' TYR . 22.6 mt -118.43 94.05 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.9 mtt-85 -76.59 134.34 39.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.53 44.98 3.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.0 mt -64.66 147.8 52.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.8 171.74 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.1 mmt -53.95 -31.45 50.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.98 -41.32 67.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.26 -33.91 65.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.0 m -45.59 104.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.13 -153.54 7.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.532 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -123.21 126.03 46.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.611 ' CE1' HD23 ' A' ' 90' ' ' LEU . 3.9 m-85 -108.82 150.09 28.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -138.49 121.45 16.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.518 ' HB3' HG22 ' A' ' 86' ' ' THR . 5.1 t -88.52 100.49 13.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.505 HG21 ' HE ' ' A' ' 41' ' ' ARG . 1.8 t -89.16 136.14 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.594 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 30.8 p -120.95 27.24 8.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.53 -72.55 0.3 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -108.74 -43.92 4.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.736 0.303 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -101.56 168.55 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -167.55 155.62 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.518 HG22 ' HB3' ' A' ' 79' ' ' CYS . 8.1 t -106.85 -174.0 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.422 ' N ' ' OG1' ' A' ' 86' ' ' THR . 1.4 p -159.52 149.01 18.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.79 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -160.38 109.43 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 75.1 mmm -54.83 132.27 45.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.611 HD23 ' CE1' ' A' ' 77' ' ' TYR . 7.9 tp -111.88 113.29 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 63.6 m -102.43 127.47 49.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.0 t -106.41 88.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 93' ' ' ARG . 6.0 mmm180 -58.28 109.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.05 130.03 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.476 HD11 ' O ' ' A' ' 22' ' ' GLU . 27.2 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.555 0.693 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.767 0.318 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 7.1 ptt-85 -120.75 140.89 51.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 69.4 m-85 -73.52 93.13 1.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.612 HD11 ' HG2' ' A' ' 31' ' ' GLU . 43.7 pt -60.58 -30.8 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -121.9 132.92 54.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -101.55 127.97 48.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.905 HG12 ' O ' ' A' ' 29' ' ' GLN . 22.3 m -53.07 170.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -178.99 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -65.65 141.42 58.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.535 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 5.5 tp-100 -103.0 133.27 48.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -146.3 126.51 13.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.404 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -160.33 136.89 8.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -65.39 144.06 57.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.482 ' O ' HD11 ' A' ' 95' ' ' LEU . 19.2 mt-10 -40.21 149.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.62 22.86 77.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.401 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -118.34 -175.15 2.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.883 0.373 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.5 m -127.88 107.96 10.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.535 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -61.09 158.51 13.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.533 HG22 ' HG2' ' A' ' 65' ' ' GLN . 19.2 t -140.29 117.03 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.422 HD12 HD12 ' A' ' 64' ' ' LEU . 12.1 mt -116.07 119.17 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.905 ' O ' HG12 ' A' ' 15' ' ' VAL . 82.9 mt-30 -118.17 141.97 47.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 1.6 p -148.99 170.12 19.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.612 ' HG2' HD11 ' A' ' 12' ' ' ILE . 3.5 tp10 -126.23 159.72 32.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.6 mt -128.3 146.09 50.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.431 ' ND2' ' HG2' ' A' ' 10' ' ' ARG . 20.5 p-10 -64.29 -15.52 60.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.9 t -162.77 149.68 13.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.06 107.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.99 153.22 25.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 176.18 7.13 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.6 m -151.53 166.36 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.51 ' CG ' HG23 ' A' ' 46' ' ' THR . 11.5 tt0 -134.96 92.34 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.787 ' CD1' HD22 ' A' ' 55' ' ' LEU . 98.5 m95 -60.77 113.14 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.557 ' HE ' HG21 ' A' ' 80' ' ' VAL . 65.1 mtt-85 -101.9 -177.42 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 45' ' ' GLU . 28.2 tttt -169.69 137.48 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 34.56 39.93 0.17 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.509 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 t 73.99 42.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 110.831 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 42' ' ' LYS . 2.9 pt-20 -144.1 155.6 44.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.51 HG23 ' CG ' ' A' ' 39' ' ' GLU . 98.3 m -99.68 128.76 45.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.157 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.46 HD11 ' HB2' ' A' ' 42' ' ' LYS . 5.9 mt -103.35 169.01 8.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.401 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 17.4 mmm180 -148.96 146.34 27.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.18 135.78 57.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.12 -129.35 1.09 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -83.5 -55.14 4.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -76.56 -44.24 35.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -91.53 140.54 29.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.75 98.62 4.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.024 HD23 HD23 ' A' ' 64' ' ' LEU . 5.2 mt -98.12 122.48 41.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -128.18 125.27 38.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -126.02 142.35 51.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -134.7 64.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.87 -92.91 1.49 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.5 p -105.86 -20.61 13.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.427 ' HG2' ' CD ' ' A' ' 31' ' ' GLU . 4.2 mtpm? -84.74 148.92 26.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.0 m -138.28 148.51 44.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -143.73 143.4 31.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.827 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.024 HD23 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -144.3 115.68 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.786 ' N ' HD22 ' A' ' 64' ' ' LEU . 38.3 mt-30 -104.78 148.72 26.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.7 mt -123.84 98.9 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -80.71 122.06 26.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.55 50.95 0.88 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.52 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.404 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 72.3 mt -69.11 141.01 54.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.16 159.98 35.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.405 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 11.1 mmt -42.21 -32.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.82 -44.85 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.8 -29.08 53.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.8 m -51.21 107.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.82 -143.13 3.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.514 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -131.35 133.16 45.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.45 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 23.3 m-85 -115.24 140.76 48.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m -130.95 120.45 23.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.9 t -92.61 104.7 16.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.557 HG21 ' HE ' ' A' ' 41' ' ' ARG . 2.3 t -92.82 145.51 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 27.6 p -118.62 -36.83 3.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 175.15 -62.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.503 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -105.35 -37.77 6.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.917 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -120.41 169.31 10.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.543 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 16.9 ptt-85 -159.21 162.48 36.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.4 t -109.79 179.82 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.86 145.25 15.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.594 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -161.42 117.65 2.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.058 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.33 138.36 58.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 tp -112.32 110.68 21.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.0 m -94.3 126.53 39.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.405 ' O ' ' CE ' ' A' ' 71' ' ' MET . 84.2 t -105.52 90.94 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -63.83 106.33 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.36 142.89 5.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.482 HD11 ' O ' ' A' ' 22' ' ' GLU . 19.1 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.666 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.786 0.327 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.494 ' CB ' ' OE2' ' A' ' 84' ' ' GLU . 17.1 ptt180 -118.29 132.62 56.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 70.9 m-85 -68.85 97.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.493 HD11 ' HG2' ' A' ' 31' ' ' GLU . 47.4 pt -66.64 -31.32 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -129.98 130.1 44.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -92.12 138.8 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.922 HG23 ' HB2' ' A' ' 88' ' ' ALA . 25.6 m -56.19 157.62 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -95.77 154.05 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -46.68 143.55 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.522 ' CG ' HD13 ' A' ' 90' ' ' LEU . 6.5 tp-100 -105.08 142.48 34.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -159.34 136.05 9.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.06 151.45 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -72.03 144.5 48.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.439 ' HG3' HG12 ' A' ' 92' ' ' VAL . 24.6 mt-10 -43.52 141.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.05 29.88 40.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.37 178.42 4.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 111.091 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.2 m -116.65 108.76 16.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.61 164.31 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.0 t -149.92 113.85 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.0 mt -114.07 117.1 30.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.825 ' O ' HG12 ' A' ' 15' ' ' VAL . 75.9 mt-30 -116.13 143.56 45.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.0 p -145.39 169.32 18.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.493 ' HG2' HD11 ' A' ' 12' ' ' ILE . 31.6 tt0 -132.72 142.64 49.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.411 HD21 ' CE1' ' A' ' 11' ' ' PHE . 9.4 mt -116.78 147.97 41.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.489 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -61.78 -22.58 65.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 35' ' ' ALA . 4.6 t -160.13 141.25 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.503 ' N ' HG22 ' A' ' 60' ' ' THR . . . -33.29 122.3 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 9' ' ' ALA . . . -165.88 149.88 7.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.603 0.716 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 177.0 6.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.326 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.8 m -155.51 158.61 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.662 ' CG ' HG23 ' A' ' 46' ' ' THR . 29.9 tt0 -133.46 84.03 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 96.5 m95 -53.7 117.7 3.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 45' ' ' GLU . 75.1 mtt180 -103.12 -178.06 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.589 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 8.4 tmtt? -164.48 128.22 2.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.42 45.68 0.98 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.5 t 71.93 50.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 41' ' ' ARG . 2.4 pt-20 -156.78 149.09 23.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.662 HG23 ' CG ' ' A' ' 39' ' ' GLU . 99.4 m -90.8 133.32 35.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.5 mt -98.44 170.77 8.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -150.26 147.45 27.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.514 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -75.98 115.42 15.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.4 -127.74 2.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.88 -51.91 6.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -80.02 -42.12 24.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -85.1 160.28 20.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -153.32 105.06 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HG ' HD23 ' A' ' 64' ' ' LEU . 6.7 mp -103.78 100.82 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 -102.83 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -171.65 137.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -128.79 75.34 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.0 -89.49 1.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.503 HG22 ' N ' ' A' ' 35' ' ' ALA . 62.5 p -110.04 -23.91 11.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 111.133 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -85.32 147.12 26.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.948 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 76.2 m -125.43 171.32 10.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -158.4 137.63 11.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.613 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.4 tm? -138.42 117.7 12.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.613 ' N ' HD22 ' A' ' 64' ' ' LEU . 20.6 mt-30 -107.91 139.47 42.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.1 mt -121.02 117.39 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -93.21 135.47 34.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.84 50.96 2.95 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.1 mt -66.69 107.06 2.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -124.6 164.96 18.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.481 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 10.5 mmt -45.37 -30.64 1.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.94 -44.2 73.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.53 -33.58 55.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.0 m -48.85 117.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -174.81 -134.29 1.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -140.8 116.39 10.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.589 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 18.8 m-85 -99.99 141.31 32.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -133.88 125.13 27.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.4 t -94.59 100.15 12.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.516 HG13 ' HE ' ' A' ' 85' ' ' ARG . 2.5 t -91.7 135.43 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.666 ' SG ' ' HB3' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -108.03 -46.01 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.12 -65.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -104.88 -40.5 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.494 ' OE2' ' CB ' ' A' ' 10' ' ' ARG . 6.0 pt-20 -117.75 169.91 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -160.78 169.0 23.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.1 t -118.43 -178.09 3.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.9 p -159.37 152.35 21.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.922 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -155.13 105.05 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.064 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 77.1 mmm -50.48 129.31 21.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.566 HD23 ' CE1' ' A' ' 77' ' ' TYR . 14.0 tp -108.17 119.5 39.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.7 m -107.2 119.7 40.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.481 ' O ' ' CE ' ' A' ' 71' ' ' MET . 85.8 t -102.42 88.12 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -59.77 107.78 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.02 142.94 28.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 72.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.587 0.708 . . . . 0.0 110.882 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 p -81.22 140.66 34.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.3 m 47.33 41.55 12.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.51 94.78 1.3 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -137.42 148.89 46.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -167.62 154.16 7.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.35 -98.92 0.2 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 159.01 55.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.728 2.285 . . . . 0.0 112.368 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.62 146.4 42.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.416 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 23.9 ptt180 -117.25 139.21 51.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 72.6 m-85 -68.52 96.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.579 HD11 ' HG2' ' A' ' 31' ' ' GLU . 35.4 pt -65.21 -31.35 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 12' ' ' ILE . 22.2 mt-10 -126.47 119.78 28.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.33 129.25 34.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.921 HG23 ' HB2' ' A' ' 88' ' ' ALA . 31.3 m -48.16 162.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -103.66 151.28 23.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -39.43 148.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -111.23 131.2 55.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -144.84 124.74 13.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.408 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -159.98 137.45 9.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -64.91 147.46 53.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -41.35 152.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.4 28.69 73.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.542 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.6 -174.96 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.0 m -126.6 102.62 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.59 164.33 9.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.433 HG22 ' HG2' ' A' ' 65' ' ' GLN . 48.8 t -148.91 108.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.66 HD12 HD12 ' A' ' 64' ' ' LEU . 10.4 mt -107.8 112.41 25.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.878 ' O ' HG12 ' A' ' 15' ' ' VAL . 86.5 mt-30 -116.38 147.08 41.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.404 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 1.4 p -148.11 179.91 7.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.579 ' HG2' HD11 ' A' ' 12' ' ' ILE . 25.5 tt0 -139.23 148.22 42.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 mt -122.73 151.78 41.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.416 ' ND2' ' HG2' ' A' ' 10' ' ' ARG . 44.9 p-10 -67.33 -21.51 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -153.08 149.29 27.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.37 113.49 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -158.36 150.64 17.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.587 0.708 . . . . 0.0 111.095 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 176.74 6.36 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.0 m -150.38 165.94 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.536 ' CG ' HG23 ' A' ' 46' ' ' THR . 34.8 tt0 -134.83 88.16 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.875 ' CD1' HD22 ' A' ' 55' ' ' LEU . 99.3 m95 -57.47 116.52 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.573 ' HE ' HG21 ' A' ' 80' ' ' VAL . 48.0 mtt-85 -103.24 -177.41 3.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.606 ' HB2' HD11 ' A' ' 47' ' ' LEU . 13.5 tmtt? -168.16 132.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.26 44.24 0.25 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.493 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.3 m 71.59 49.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -155.07 145.09 21.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.536 HG23 ' CG ' ' A' ' 39' ' ' GLU . 96.2 m -88.52 130.65 35.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 42' ' ' LYS . 11.0 mt -103.46 164.7 11.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -145.36 144.15 30.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.05 130.43 46.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.76 -125.07 0.77 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -89.46 -50.85 5.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -80.86 -40.31 25.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -95.98 140.05 31.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.01 99.95 4.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.045 HD23 HD23 ' A' ' 64' ' ' LEU . 5.3 mt -97.0 120.4 37.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -129.42 129.41 44.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 35.0 tt0 -121.98 144.29 48.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -132.01 75.19 1.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.53 -90.01 1.61 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.1 p -109.75 -22.82 11.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 111.126 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -86.46 152.08 22.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 79.9 m -128.98 172.45 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -160.83 147.3 15.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.045 HD23 HD23 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -150.41 121.05 7.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.847 ' N ' HD22 ' A' ' 64' ' ' LEU . 20.9 mt-30 -108.04 145.85 33.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.1 mt -123.93 96.74 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -80.6 126.59 31.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.73 41.93 2.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.408 HD13 ' HB3' ' A' ' 20' ' ' ALA . 53.9 mt -61.51 123.03 16.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.98 169.44 17.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 7.6 mmt -49.75 -46.05 50.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.63 84.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.14 -34.72 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.434 HG23 ' HA ' ' A' ' 91' ' ' THR . 38.5 m -46.34 100.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.499 ' O ' ' CE ' ' A' ' 89' ' ' MET . . . -158.13 -154.27 7.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -117.93 124.83 49.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.368 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.76 ' CE1' HD23 ' A' ' 90' ' ' LEU . 17.9 m-85 -108.39 139.54 42.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -133.29 130.04 38.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.521 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 6.0 t -101.02 105.34 16.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.573 HG21 ' HE ' ' A' ' 41' ' ' ARG . 1.6 t -96.37 139.46 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 1.7 p -131.04 17.12 5.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.99 -100.86 0.2 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -98.06 -33.21 11.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.559 ' OE2' ' CD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -105.12 167.44 9.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.57 ' HB3' HG13 ' A' ' 80' ' ' VAL . 8.2 ptt180 -163.72 159.97 22.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.402 ' OG1' ' N ' ' A' ' 87' ' ' SER . 5.7 t -106.55 179.62 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.402 ' N ' ' OG1' ' A' ' 86' ' ' THR . 0.9 OUTLIER -158.27 139.53 13.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.838 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.921 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -148.37 108.28 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -53.75 128.2 28.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.76 HD23 ' CE1' ' A' ' 77' ' ' TYR . 10.2 tp -109.37 108.95 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.434 ' HA ' HG23 ' A' ' 74' ' ' THR . 40.3 m -100.58 125.55 46.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.495 ' O ' ' CE ' ' A' ' 71' ' ' MET . 87.5 t -101.98 91.22 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.8 mmm-85 -64.36 104.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.67 131.1 25.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.81 152.69 75.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 103.95 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.668 2.245 . . . . 0.0 112.318 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 29.6 mt -44.9 131.26 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -85.49 41.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -56.25 123.96 16.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.8 p -88.84 112.06 22.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -75.22 141.06 43.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.0 p -109.61 113.92 27.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.72 81.92 0.33 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 0.57 5.43 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.712 2.274 . . . . 0.0 112.355 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.3 t 71.57 44.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.1 t -115.18 -42.03 3.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -114.62 -52.34 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.373 . . . . 0.0 110.89 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.8 p -49.16 -23.22 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.71 179.46 16.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 p -137.01 159.25 42.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -40.03 -56.77 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.0 -147.38 3.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 159.08 54.77 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.249 . . . . 0.0 112.313 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.94 138.41 51.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -115.77 145.44 42.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 96.6 m-85 -71.03 104.22 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 pt -72.22 -27.69 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -127.8 116.34 20.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.43 128.94 34.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.84 HG12 ' O ' ' A' ' 29' ' ' GLN . 30.7 m -47.91 163.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -103.18 148.51 25.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -40.42 147.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.476 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.6 tp-100 -108.18 149.1 28.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -158.32 132.03 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -172.17 137.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -65.45 150.48 48.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HG3' HG12 ' A' ' 92' ' ' VAL . 13.6 mt-10 -44.9 148.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.55 24.19 75.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.12 -175.43 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.8 m -126.1 105.09 8.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -66.06 160.35 24.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.492 HG22 ' HG2' ' A' ' 65' ' ' GLN . 17.6 t -143.87 116.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.1 mt -115.26 117.24 29.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.84 ' O ' HG12 ' A' ' 15' ' ' VAL . 78.9 mt-30 -117.11 142.25 47.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.45 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 1.8 p -142.35 -175.17 4.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -146.89 154.55 41.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mt -131.86 151.81 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.436 ' C ' ' OD1' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -66.67 -24.69 66.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -150.23 145.17 26.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.06 118.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -161.4 149.61 12.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.553 0.692 . . . . 0.0 111.106 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 177.16 5.88 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.4 m -152.09 163.02 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.667 ' CG ' HG23 ' A' ' 46' ' ' THR . 31.9 tt0 -133.53 85.79 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 97.7 m95 -57.33 116.93 3.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.5 ' NE ' HG21 ' A' ' 80' ' ' VAL . 59.7 mtt180 -103.78 -176.88 3.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.586 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 11.4 tmtt? -165.81 129.66 2.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.16 41.48 0.49 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t 75.04 48.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.332 . . . . 0.0 110.814 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -155.03 135.13 13.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.667 HG23 ' CG ' ' A' ' 39' ' ' GLU . 80.2 m -79.31 131.13 36.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.2 mt -99.62 166.72 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -145.13 154.21 42.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.563 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -75.28 135.39 40.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.87 -137.05 2.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -76.76 -58.66 3.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.9 mtt85 -71.59 -45.1 63.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -90.81 157.4 17.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -151.56 106.52 3.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.563 HD13 ' CA ' ' A' ' 49' ' ' ASP . 6.8 mp -99.6 101.68 12.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -108.41 116.49 32.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -115.71 140.18 49.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -128.74 76.33 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.0 -88.8 1.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 39.2 p -109.8 -25.45 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 111.14 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -84.05 144.19 29.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 55.8 m -125.71 159.33 32.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -148.33 134.56 19.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.8 tm? -131.86 117.55 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.539 ' N ' HD22 ' A' ' 64' ' ' LEU . 33.1 mt-30 -110.6 133.72 53.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.7 mt -115.53 100.47 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -84.18 124.36 31.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.83 44.37 2.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.3 mt -57.47 152.57 14.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -160.66 165.28 30.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.437 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 13.1 mmt -47.96 -50.72 26.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.4 -43.83 68.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.73 -27.82 43.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.4 m -55.37 108.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.03 -131.71 1.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -136.65 135.05 37.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.378 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.632 ' CE1' HD23 ' A' ' 90' ' ' LEU . 26.3 m-85 -114.79 138.2 51.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -128.93 123.92 33.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.409 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 3.2 t -96.53 100.12 11.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.5 HG21 ' NE ' ' A' ' 41' ' ' ARG . 2.4 t -88.11 140.21 16.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 24.3 p -112.53 -36.39 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 173.11 -58.67 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -106.17 -36.14 6.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -129.05 170.94 12.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.548 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -156.93 171.12 21.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 87' ' ' SER . 5.4 t -114.31 -178.4 3.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.429 ' N ' ' OG1' ' A' ' 86' ' ' THR . 1.3 p -156.43 141.6 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.821 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -153.06 119.45 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 80.1 mmm -65.95 137.03 56.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.632 HD23 ' CE1' ' A' ' 77' ' ' TYR . 10.3 tp -117.76 116.28 26.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 77.8 m -102.31 126.37 49.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.449 HG12 ' HG3' ' A' ' 22' ' ' GLU . 96.6 t -105.31 94.85 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -64.88 102.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.93 140.86 3.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.3 mt -61.67 152.8 73.86 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 100.68 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.512 ' H ' HD12 ' A' ' 97' ' ' ILE . 4.0 mp -54.41 -53.0 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 97' ' ' ILE . 53.7 mttm -35.77 -61.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -78.36 115.63 18.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.7 t -82.14 39.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -163.93 175.97 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.3 t -123.03 101.38 7.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 177.16 145.79 5.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 105' ' ' SER . 53.2 Cg_endo -69.84 -27.47 26.07 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 104' ' ' PRO . 27.9 t -35.33 115.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.7 t -115.16 -47.25 2.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.505 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t 53.79 42.12 31.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.387 . . . . 0.0 110.885 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -87.83 -48.0 8.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.42 92.13 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 t 56.49 41.74 28.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.81 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 p -52.94 -58.11 8.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.69 -176.69 22.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 159.1 54.65 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.332 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.59 140.97 49.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.46 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 8.6 ptp180 -112.95 137.31 51.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.579 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 76.6 m-85 -66.15 99.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.615 HD11 ' HG2' ' A' ' 31' ' ' GLU . 45.2 pt -65.63 -32.53 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.442 ' N ' HG13 ' A' ' 12' ' ' ILE . 4.5 mm-40 -124.94 133.64 52.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.08 127.85 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.884 HG12 ' O ' ' A' ' 29' ' ' GLN . 23.7 m -47.68 159.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -94.62 155.25 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -52.89 123.77 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -79.65 134.63 36.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -150.88 116.17 5.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.3 140.32 19.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -65.55 149.23 50.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -45.72 145.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.18 31.86 61.02 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -123.5 -175.9 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.361 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.2 m -123.07 108.57 13.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.471 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -71.83 157.14 38.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.59 HG22 ' HG2' ' A' ' 65' ' ' GLN . 58.5 t -139.78 110.11 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 6.7 mt -107.05 108.73 20.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.884 ' O ' HG12 ' A' ' 15' ' ' VAL . 84.1 mt-30 -113.33 146.1 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 p -145.26 -178.44 6.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.615 ' HG2' HD11 ' A' ' 12' ' ' ILE . 19.3 tt0 -140.64 156.31 46.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.4 mt -129.57 154.28 47.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.46 ' ND2' ' HG2' ' A' ' 10' ' ' ARG . 39.3 p-10 -71.37 -19.3 62.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.8 t -153.03 143.17 22.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.01 112.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -162.18 150.72 12.49 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.549 0.69 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 174.85 8.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.435 HG12 ' HB3' ' A' ' 81' ' ' CYS . 33.3 m -155.17 177.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.493 ' HG2' HG23 ' A' ' 46' ' ' THR . 2.7 tp10 -141.5 125.45 17.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.707 ' CD1' HD22 ' A' ' 55' ' ' LEU . 91.7 m95 -90.58 110.72 21.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.421 ' NE ' HG21 ' A' ' 80' ' ' VAL . 52.0 mtt180 -97.35 -174.99 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 43' ' ' GLY . 34.1 tttt -167.3 130.4 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 34.33 43.64 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m 73.88 49.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.867 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 42' ' ' LYS . 2.9 pt-20 -155.08 132.53 11.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.493 HG23 ' HG2' ' A' ' 39' ' ' GLU . 93.8 m -81.76 130.6 35.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' A' ' 42' ' ' LYS . 9.8 mt -102.22 174.28 5.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -149.19 151.1 33.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.57 136.76 53.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -168.59 -129.79 1.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -83.0 -58.14 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -71.73 -44.67 63.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -93.99 140.26 29.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -134.42 98.38 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.853 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.943 HD23 HD23 ' A' ' 64' ' ' LEU . 7.1 mt -91.05 118.54 30.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 54' ' ' SER . 0.9 OUTLIER -122.99 129.31 51.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -123.55 142.27 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -133.82 75.28 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.12 -89.63 1.62 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.445 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.5 p -110.67 -24.4 10.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 0.0 111.099 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -85.91 145.05 27.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.7 m -121.87 173.7 7.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 64' ' ' LEU . 45.6 tt0 -158.31 154.36 26.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.943 HD23 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -157.33 110.18 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.632 ' N ' HD22 ' A' ' 64' ' ' LEU . 35.7 mt-30 -98.45 150.91 21.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 26.2 mt -126.81 100.92 6.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -84.35 123.53 30.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.99 47.72 1.32 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.527 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.2 mt -66.25 143.33 57.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -160.35 157.44 27.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 13.4 mmt -38.8 -39.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.77 -45.64 85.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' ALA . 0.7 OUTLIER -52.09 -34.43 43.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.9 m -47.42 107.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.48 -136.65 2.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -135.38 129.52 33.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.876 0.37 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.425 ' CE1' HD23 ' A' ' 90' ' ' LEU . 17.9 m-85 -113.61 137.94 50.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 m -131.51 125.1 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.4 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 t -96.61 102.08 13.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.421 HG21 ' NE ' ' A' ' 41' ' ' ARG . 2.7 t -90.72 133.53 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.579 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 23.1 p -107.71 -18.97 13.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.02 -68.89 0.31 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -94.87 -41.48 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 110.921 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -121.08 168.23 11.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.536 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 3.6 ptt85 -157.23 164.02 38.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.6 t -115.78 -175.63 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 p -159.39 147.17 17.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.874 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -153.02 109.84 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 72.0 mmm -61.16 114.65 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.488 HD13 ' HB3' ' A' ' 18' ' ' GLN . 6.0 tp -92.72 114.87 27.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.2 m -104.06 127.38 51.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.495 ' O ' ' CE ' ' A' ' 71' ' ' MET . 98.6 t -105.58 103.47 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -73.38 105.94 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -43.09 141.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.0 mt -65.65 155.89 84.51 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.634 0.731 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 100.47 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 mt -50.02 -38.29 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.92 173.14 7.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.446 ' CE1' ' OE1' ' A' ' 101' ' ' GLU . 3.1 t80 -121.6 119.88 33.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 59.1 p -156.81 121.11 4.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.446 ' OE1' ' CE1' ' A' ' 99' ' ' PHE . 7.4 pt-20 -151.06 126.55 10.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.8 p -129.85 123.97 32.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -60.56 -122.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.555 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -177.72 2.01 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.5 p -113.93 121.66 44.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.1 m -40.13 122.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 1' ' ' GLY . 84.6 p 34.99 41.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.842 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -119.92 41.88 3.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.36 -85.63 0.2 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -70.11 108.81 4.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 0.0 110.893 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -71.48 89.52 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.23 -145.6 4.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 159.37 53.64 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.97 152.96 21.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -128.93 132.85 47.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.602 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 92.5 m-85 -64.89 100.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 13' ' ' GLU . 44.6 pt -66.96 -33.06 60.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.457 ' N ' HG13 ' A' ' 12' ' ' ILE . 8.6 mm-40 -126.18 121.87 34.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -84.74 137.07 33.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.878 HG12 ' O ' ' A' ' 29' ' ' GLN . 12.0 m -58.39 156.2 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' ASN . 23.1 mmtp -97.0 147.43 24.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER -35.66 149.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.48 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.6 tp-100 -111.65 117.15 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.18 134.64 50.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -174.42 151.19 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.716 ' HD2' HD23 ' A' ' 95' ' ' LEU . 14.7 mtm180 -71.81 173.15 8.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.455 ' O ' HD11 ' A' ' 95' ' ' LEU . 12.9 mt-10 -67.12 159.65 28.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.55 16.66 51.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.503 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -103.17 -175.1 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 111.117 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.7 m -125.79 106.75 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.48 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -70.34 158.26 36.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.59 HG22 ' HG2' ' A' ' 65' ' ' GLN . 21.4 t -140.97 116.32 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 mt -115.49 109.28 17.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.878 ' O ' HG12 ' A' ' 15' ' ' VAL . 75.2 mt-30 -109.73 145.92 35.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.482 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 2.6 p -144.65 -177.46 5.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -143.56 159.04 43.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 mt -131.0 155.32 47.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -73.01 -20.14 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -151.02 144.36 24.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.46 112.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -162.17 152.88 14.61 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.58 0.705 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 173.98 10.21 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.324 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.2 m -153.17 179.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.469 ' CD ' ' N ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -146.21 125.53 13.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.781 ' CD1' HD22 ' A' ' 55' ' ' LEU . 89.0 m95 -91.9 112.09 23.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.433 ' HD2' ' CG2' ' A' ' 80' ' ' VAL . 47.7 mtt180 -100.08 -175.69 3.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.519 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 19.9 tttt -170.55 119.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 45.46 43.8 10.74 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.471 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.2 t 71.57 45.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.887 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -148.02 133.48 18.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.402 HG23 ' CD ' ' A' ' 39' ' ' GLU . 86.8 m -86.19 123.73 31.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.4 ' C ' ' HG2' ' A' ' 48' ' ' ARG . 6.1 mt -97.49 169.41 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.4 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 13.9 mmm180 -147.24 147.91 30.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.9 135.64 57.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -168.21 -128.85 1.03 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -83.59 -56.56 3.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.747 0.308 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -74.98 -44.82 46.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -91.29 139.75 30.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.95 97.93 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.03 HD23 HD23 ' A' ' 64' ' ' LEU . 5.7 mt -94.76 123.96 38.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -130.33 122.23 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -115.4 139.81 49.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -130.14 74.03 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.09 -90.58 1.65 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.2 p -110.44 -21.59 12.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 111.163 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -86.79 154.17 21.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 38.3 m -133.92 168.64 18.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -160.95 136.65 8.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.03 HD23 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -136.41 115.26 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.727 ' N ' HD22 ' A' ' 64' ' ' LEU . 43.9 mt-30 -101.43 141.82 33.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.0 mt -117.57 100.08 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -85.53 120.9 27.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.27 47.8 1.04 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 24' ' ' ALA . 37.2 mt -63.16 151.6 39.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.346 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -162.21 145.73 11.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.734 ' SD ' ' HB2' ' A' ' 94' ' ' ALA . 60.2 mmm -38.73 -31.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.28 -41.54 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' ALA . 75.0 m-20 -54.76 -22.59 14.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.3 m -53.2 104.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.54 -135.34 1.9 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -139.13 131.47 28.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.704 ' CE1' HD23 ' A' ' 90' ' ' LEU . 12.2 m-85 -114.86 144.21 43.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -135.54 129.19 32.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.852 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.602 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 1.9 t -98.72 101.3 12.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.477 HG12 ' H ' ' A' ' 82' ' ' GLY . 2.1 t -88.06 147.95 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 10.6 p -133.16 15.21 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.477 ' H ' HG12 ' A' ' 80' ' ' VAL . . . 132.81 -82.01 0.31 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -99.87 -45.39 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.317 . . . . 0.0 110.933 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -100.68 166.66 10.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.578 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 9.5 ptt180 -164.04 153.82 14.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.809 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.9 t -106.61 177.77 4.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 p -158.94 147.11 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.815 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -156.53 109.68 2.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.069 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 77.3 mmm -50.73 140.8 14.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.704 HD23 ' CE1' ' A' ' 77' ' ' TYR . 12.3 tp -119.2 109.17 15.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.8 m -98.61 127.54 44.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.6 t -108.83 105.97 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -77.9 111.51 13.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.734 ' HB2' ' SD ' ' A' ' 71' ' ' MET . . . -50.64 138.86 17.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.075 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.716 HD23 ' HD2' ' A' ' 21' ' ' ARG . 22.3 mt -85.22 158.33 58.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.561 0.696 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 104.32 1.31 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.64 2.226 . . . . 0.0 112.314 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.0 mt -73.58 127.43 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -52.14 142.28 16.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -155.88 149.86 25.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.0 m -159.84 132.09 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -150.09 172.57 15.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 85.8 p -118.45 144.61 45.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.64 -169.2 20.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.449 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 159.69 52.43 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.268 . . . . 0.0 112.328 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.8 m -108.23 -50.07 3.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.7 m 59.16 43.38 17.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t 60.54 42.2 14.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -94.56 112.69 24.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.7 -170.04 36.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -130.64 -49.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.8 t -66.0 119.67 11.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.25 -95.6 0.12 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 162.27 42.72 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.47 126.96 41.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -104.26 159.48 15.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.569 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 82.5 m-85 -83.24 99.6 10.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 13' ' ' GLU . 44.1 pt -67.51 -32.07 55.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.147 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 12' ' ' ILE . 25.0 mt-10 -121.44 129.56 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.18 131.94 37.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.996 HG12 ' O ' ' A' ' 29' ' ' GLN . 32.8 m -55.83 161.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -102.27 148.37 25.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.51 146.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.518 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.9 tp-100 -108.65 143.39 37.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -159.3 125.92 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.7 145.56 17.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -67.19 149.78 49.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -45.5 152.26 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.48 29.15 72.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.439 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.15 -179.16 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.9 m -123.61 108.31 12.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.518 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -64.41 163.63 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.035 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.642 HG22 ' HG2' ' A' ' 65' ' ' GLN . 98.3 t -144.98 115.67 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.584 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 9.5 mt -114.7 113.83 24.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.996 ' O ' HG12 ' A' ' 15' ' ' VAL . 78.6 mt-30 -113.92 143.73 44.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.467 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 8.1 p -145.01 -178.97 6.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -139.54 154.87 47.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.0 mt -129.88 150.99 50.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -63.17 -24.89 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 t -154.28 140.99 19.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.583 ' N ' HG22 ' A' ' 60' ' ' THR . . . -38.75 118.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.12 151.23 11.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.603 0.716 . . . . 0.0 111.071 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 178.68 4.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.3 m -154.44 163.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.663 ' CG ' HG23 ' A' ' 46' ' ' THR . 30.0 tt0 -134.84 90.18 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.584 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 95.5 m95 -61.06 112.34 2.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -101.55 -178.07 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.543 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 5.4 tttm -167.63 133.07 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 32.36 52.55 0.42 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.2 m 63.65 51.43 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -156.15 135.45 12.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.663 HG23 ' CG ' ' A' ' 39' ' ' GLU . 99.2 m -85.19 131.83 34.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 mt -99.81 162.83 12.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -142.01 153.03 43.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.47 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -72.42 141.18 48.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.46 -142.48 3.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -75.42 -52.24 11.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -78.2 -42.3 31.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -94.39 156.94 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -149.65 105.0 3.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.47 HD13 ' N ' ' A' ' 49' ' ' ASP . 7.5 mp -102.17 98.19 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -98.83 176.79 5.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -171.31 140.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -131.04 77.12 1.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.32 -91.65 1.71 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.583 HG22 ' N ' ' A' ' 35' ' ' ALA . 28.3 p -108.13 -24.57 11.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.821 0.343 . . . . 0.0 111.162 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -83.6 155.24 23.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 50.8 m -129.2 175.42 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -162.06 137.26 7.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.621 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.5 tm? -137.67 119.4 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.642 ' HG2' HG22 ' A' ' 27' ' ' VAL . 33.2 mt-30 -110.87 138.88 46.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.6 mt -118.95 96.12 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -78.91 126.57 30.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.56 48.36 1.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.531 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 mt -64.99 148.19 52.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.8 161.47 26.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.6 mmt -42.05 -39.64 2.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.39 -45.86 82.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -34.01 46.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.7 m -48.83 105.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.07 -146.23 4.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -126.99 130.57 50.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.543 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 21.2 m-85 -113.89 140.69 48.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.7 m -131.9 117.3 18.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.1 t -86.95 104.79 16.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.413 ' HA ' ' CB ' ' A' ' 85' ' ' ARG . 2.6 t -95.38 129.67 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.569 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 21.1 p -101.99 -23.86 14.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 160.31 -65.87 0.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.448 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -97.88 -40.19 8.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 110.935 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' N ' ' CD ' ' A' ' 84' ' ' GLU . 1.2 pm0 -123.71 171.91 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.567 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -160.41 168.76 24.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.2 t -116.59 -175.36 2.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.0 p -159.44 148.39 18.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.659 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -158.97 110.57 2.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 72.4 mmm -57.04 133.89 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.43 HD23 ' CE1' ' A' ' 77' ' ' TYR . 9.6 tp -114.31 117.35 30.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.0 m -103.87 128.03 51.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.7 t -105.64 89.98 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -60.52 110.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.42 127.44 32.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.9 mt -62.28 141.31 96.25 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.635 0.731 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 106.79 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.34 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 73.7 mt -81.73 -52.0 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 99' ' ' PHE . 12.6 ptpt -98.9 -36.29 9.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.417 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 33.3 t80 -48.14 134.92 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.5 m -131.79 126.23 33.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.87 112.38 1.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -152.47 164.25 37.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -113.12 -170.12 17.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 168.98 20.02 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.8 t -82.88 93.28 7.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 t -106.13 115.9 31.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.471 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 p -73.29 147.28 44.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.877 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -168.71 171.49 8.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.23 -48.87 0.94 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 p -87.66 -51.25 5.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.828 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 p -136.5 132.45 35.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.45 158.2 17.13 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 158.95 55.26 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.61 132.19 45.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -113.28 146.51 39.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.58 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 86.4 m-85 -76.92 93.52 3.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 33' ' ' ASN . 42.4 pt -64.91 -31.14 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.425 ' N ' HG13 ' A' ' 12' ' ' ILE . 26.5 mt-10 -124.73 120.99 33.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.64 132.69 34.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.87 HG23 ' HB2' ' A' ' 88' ' ' ALA . 24.9 m -51.31 160.02 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -98.07 148.22 23.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -43.62 139.49 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.562 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.8 tp-100 -99.16 144.61 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -157.74 130.18 7.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.31 137.98 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 ptt-85 -62.16 152.17 33.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.07 152.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.56 28.3 73.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.76 -174.9 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.0 m -127.03 107.47 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.562 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -71.9 157.07 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.628 HG22 ' HG2' ' A' ' 65' ' ' GLN . 31.6 t -140.26 117.62 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.586 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.2 mt -113.64 118.93 35.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.753 ' O ' HG12 ' A' ' 15' ' ' VAL . 77.5 mt-30 -119.86 140.99 49.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 3.7 p -142.22 -179.06 6.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -143.47 159.46 42.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.425 HD21 ' CE1' ' A' ' 11' ' ' PHE . 8.3 mt -134.1 146.3 50.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.475 ' HB3' ' CG2' ' A' ' 12' ' ' ILE . 1.2 p-10 -67.51 -15.12 63.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.3 p -149.42 137.91 20.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.483 ' N ' HG22 ' A' ' 60' ' ' THR . . . -51.74 113.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -161.76 153.77 16.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.649 0.738 . . . . 0.0 111.095 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 53.7 Cg_endo -69.71 174.16 9.88 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.442 HG12 ' HB3' ' A' ' 81' ' ' CYS . 32.3 m -157.36 176.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -142.71 128.57 19.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.586 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 95.3 m95 -92.52 111.12 22.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.782 ' CZ ' HG21 ' A' ' 80' ' ' VAL . 56.9 mtt180 -97.8 -179.64 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.586 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 6.2 tmtt? -162.62 135.09 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 34.35 40.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.5 t 74.95 47.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.353 . . . . 0.0 110.835 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 42' ' ' LYS . 2.8 pt-20 -150.61 149.97 30.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.9 m -92.28 124.22 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.9 mt -91.26 165.67 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -141.64 145.68 35.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.462 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -69.63 136.6 51.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.13 -142.5 3.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -72.83 -56.17 5.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -74.1 -45.4 49.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -92.89 154.3 18.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.9 m -147.97 105.02 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.462 HD13 ' CA ' ' A' ' 49' ' ' ASP . 7.6 mp -99.81 103.63 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.8 mtp-105 -108.2 171.9 7.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -172.34 143.91 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -134.65 82.01 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.6 -91.43 1.56 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.483 HG22 ' N ' ' A' ' 35' ' ' ALA . 20.2 p -108.86 -24.33 11.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 111.115 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -81.91 152.65 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.6 m -129.79 170.47 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -159.83 137.17 9.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.755 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.2 tm? -142.8 123.56 14.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.755 ' N ' HD22 ' A' ' 64' ' ' LEU . 24.9 mt-30 -114.11 151.76 32.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.4 mt -128.76 92.8 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 -77.47 126.55 31.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.64 42.69 2.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.8 mt -58.7 149.01 27.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.945 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.549 ' HB3' ' OD1' ' A' ' 73' ' ' ASP . . . -161.66 159.45 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.6 mmt -39.67 -50.27 2.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.96 -48.04 70.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.549 ' OD1' ' HB3' ' A' ' 70' ' ' ALA . 0.6 OUTLIER -47.44 -38.65 13.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.0 m -46.15 107.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.7 -125.0 0.74 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -145.43 131.01 18.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.634 ' CE1' HD23 ' A' ' 90' ' ' LEU . 38.4 m-85 -115.97 136.32 53.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 86' ' ' THR . 3.5 m -129.97 127.78 40.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.6 t -99.57 103.27 14.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.782 HG21 ' CZ ' ' A' ' 41' ' ' ARG . 2.1 t -87.57 151.76 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.58 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 25.1 p -127.15 -40.38 1.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -177.48 -69.45 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -102.89 -37.74 7.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -119.4 162.55 18.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 20.7 ptt-85 -149.77 162.17 40.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.43 HG21 HG13 ' A' ' 15' ' ' VAL . 6.0 t -112.2 167.54 10.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 p -146.34 151.2 37.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.87 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -159.2 111.45 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 81.0 mmm -58.83 134.79 57.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.634 HD23 ' CE1' ' A' ' 77' ' ' TYR . 10.9 tp -114.52 117.59 31.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.5 m -104.82 125.19 50.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.2 t -104.24 93.01 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -62.81 107.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.16 135.44 25.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.8 mt -50.81 154.55 2.36 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.549 0.69 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 103.94 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.736 2.291 . . . . 0.0 112.318 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.3 mt -58.95 -60.57 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -95.99 176.82 5.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -81.62 129.66 34.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.2 p -54.27 127.74 28.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -136.28 139.4 42.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.3 t -118.47 112.15 19.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 178.14 -160.45 26.69 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 97.14 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.726 2.284 . . . . 0.0 112.302 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.7 t -104.95 170.48 7.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.3 m -113.25 91.84 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -58.14 129.21 40.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.378 . . . . 0.0 110.867 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -88.03 -49.75 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.824 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.72 159.35 20.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -103.42 146.93 27.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 m -138.47 140.2 39.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.812 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.35 94.24 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.93 36.39 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.04 141.23 34.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.5 ptt85 -117.99 139.02 51.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 75.9 m-85 -65.45 105.24 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.442 ' CG2' ' HB3' ' A' ' 33' ' ' ASN . 35.8 pt -71.05 -31.72 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.439 ' N ' HG13 ' A' ' 12' ' ' ILE . 25.7 mm-40 -129.5 128.7 43.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.64 133.39 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.951 HG23 ' HB2' ' A' ' 88' ' ' ALA . 31.0 m -54.69 162.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -99.45 149.24 23.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -45.83 134.04 8.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.569 ' HB3' HD13 ' A' ' 90' ' ' LEU . 5.5 tp-100 -90.31 138.07 31.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -151.38 130.67 12.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.468 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -166.8 154.47 9.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -76.51 146.96 38.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.421 ' HG3' HG12 ' A' ' 92' ' ' VAL . 23.6 mt-10 -44.58 139.85 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.71 30.55 35.56 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.455 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -119.83 -175.27 2.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.823 0.344 . . . . 0.0 111.135 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.2 m -123.9 100.21 6.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.537 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -56.55 156.32 6.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.542 HG22 ' HG2' ' A' ' 65' ' ' GLN . 81.7 t -144.93 108.46 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.0 mt -108.4 115.17 29.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.907 ' O ' HG12 ' A' ' 15' ' ' VAL . 31.1 mt-30 -113.44 145.0 41.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.433 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 6.1 p -146.12 -177.23 5.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.408 ' HG2' HD11 ' A' ' 12' ' ' ILE . 18.5 tt0 -145.82 149.26 33.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mt -121.99 154.99 36.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.442 ' HB3' ' CG2' ' A' ' 12' ' ' ILE . 27.1 p-10 -69.47 -22.31 63.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.432 ' C ' HG22 ' A' ' 60' ' ' THR . 7.8 t -151.98 150.67 30.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.36 114.89 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.71 151.39 10.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 172.01 13.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.8 m -151.85 173.98 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.482 ' CD ' ' N ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -141.4 126.15 18.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.539 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 95.9 m95 -93.89 110.51 22.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.455 ' HE ' HG21 ' A' ' 80' ' ' VAL . 29.2 mtt-85 -100.75 -175.83 3.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.503 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 7.3 tttm -169.63 128.17 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 40.21 49.25 3.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m 64.65 52.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -157.25 139.05 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -87.39 127.57 35.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 mt -93.73 162.72 13.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -137.89 143.83 41.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.46 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -67.74 128.1 35.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.86 -143.15 3.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -72.55 -50.76 23.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -80.12 -40.52 27.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -96.03 147.89 23.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -141.76 105.02 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.46 HD13 ' CA ' ' A' ' 49' ' ' ASP . 7.5 mp -101.92 100.6 10.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -105.09 175.63 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -169.29 142.68 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -131.69 75.9 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.61 -88.02 1.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.432 HG22 ' C ' ' A' ' 34' ' ' SER . 6.6 p -111.32 -24.98 9.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.145 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -83.93 148.97 26.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.9 m -124.29 172.19 9.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -162.83 130.35 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.637 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.4 tm? -131.59 118.51 20.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.637 ' N ' HD22 ' A' ' 64' ' ' LEU . 21.1 mt-30 -106.73 140.41 39.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.2 mt -122.37 106.95 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -83.33 138.21 33.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.21 46.6 4.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.537 HD21 ' HB2' ' A' ' 26' ' ' ALA . 42.4 mt -64.19 105.2 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -123.46 171.92 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.112 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.479 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 10.4 mmt -53.53 -33.04 53.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.14 -42.4 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -31.52 69.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.9 m -49.08 102.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.501 ' O ' ' CE ' ' A' ' 89' ' ' MET . . . -159.8 -157.14 8.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -115.54 124.02 49.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.503 ' CZ ' ' HG3' ' A' ' 42' ' ' LYS . 8.8 m-85 -108.07 142.86 37.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -133.17 125.64 29.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.402 ' HB3' HG22 ' A' ' 86' ' ' THR . 3.4 t -95.39 107.04 19.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.455 HG21 ' HE ' ' A' ' 41' ' ' ARG . 2.0 t -94.96 134.99 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.099 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 25.2 p -119.27 24.51 10.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 128.31 -77.57 0.39 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -107.65 -44.2 4.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -100.94 170.64 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -166.01 165.33 18.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 87' ' ' SER . 7.8 t -113.39 -175.45 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.418 ' N ' ' OG1' ' A' ' 86' ' ' THR . 1.4 p -158.19 146.32 18.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.951 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -154.82 106.37 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.087 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.501 ' CE ' ' O ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -54.87 122.23 10.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 18' ' ' GLN . 9.5 tp -102.42 112.84 25.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.8 m -105.35 125.2 50.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.479 ' O ' ' CE ' ' A' ' 71' ' ' MET . 99.0 t -104.04 96.02 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -62.97 110.92 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.66 126.26 26.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.7 mt -56.78 154.57 17.71 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.62 0.724 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 98.93 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 34.7 mt -60.69 -63.21 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 99' ' ' PHE . 1.4 tmmt? -155.83 137.53 14.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 98' ' ' LYS . 56.1 m-85 -37.07 109.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.582 ' O ' HG23 ' A' ' 100' ' ' THR . 9.6 t -109.33 109.21 20.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -173.94 147.89 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.7 m -46.64 -59.58 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.22 -154.43 16.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 100.4 0.82 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.71 2.274 . . . . 0.0 112.351 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.1 t -66.65 124.66 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.1 p -74.11 134.29 42.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.516 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -125.52 99.76 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 m -121.56 124.98 45.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.95 163.02 13.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 p -74.02 127.66 33.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -165.84 150.85 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.95 -118.8 4.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 159.18 54.33 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.709 2.272 . . . . 0.0 112.347 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.24 137.72 49.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -114.45 141.82 47.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 87.0 m-85 -72.54 96.77 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.557 HD11 ' HG2' ' A' ' 31' ' ' GLU . 45.7 pt -65.35 -32.03 56.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -128.08 116.39 19.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -80.97 134.02 35.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.866 HG23 ' HB2' ' A' ' 88' ' ' ALA . 26.0 m -53.24 160.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -101.9 146.51 27.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -40.13 140.87 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.2 tp-100 -98.32 146.81 25.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -159.16 126.17 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.446 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -161.26 147.32 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.3 mtt-85 -72.67 148.73 44.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -43.86 144.57 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.85 30.15 56.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.414 ' C ' HD12 ' A' ' 69' ' ' LEU . . . -123.19 -179.72 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -123.59 106.4 10.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.469 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -60.89 159.68 10.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.403 HG22 ' HG2' ' A' ' 65' ' ' GLN . 3.7 t -144.73 106.9 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.545 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.1 mt -104.21 114.66 29.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.768 ' O ' HG12 ' A' ' 15' ' ' VAL . 84.7 mt-30 -114.65 137.92 51.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.476 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 2.3 p -140.4 178.14 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.557 ' HG2' HD11 ' A' ' 12' ' ' ILE . 28.2 tt0 -141.41 148.99 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.6 mt -120.9 154.26 36.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.421 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -71.07 -20.16 62.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.6 t -153.11 146.75 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.46 115.51 1.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.68 148.92 9.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 175.84 7.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.262 . . . . 0.0 112.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -151.2 -179.33 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -157.06 105.85 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.545 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 76.1 m95 -74.44 131.16 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.522 ' HE ' HG21 ' A' ' 80' ' ' VAL . 35.2 mtt-85 -116.88 178.8 4.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.587 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 9.1 tttp -156.75 105.03 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.8 61.7 5.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.3 m 63.33 48.16 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 2.8 pt-20 -153.38 133.31 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.8 m -89.14 129.36 35.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 mt -100.69 161.05 13.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -140.81 151.02 44.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.618 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -70.26 139.83 52.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.07 -128.34 1.02 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.442 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.69 -69.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.6 mtm-85 -70.27 -35.72 73.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -93.89 150.31 20.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.99 109.78 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.618 HD13 ' CA ' ' A' ' 49' ' ' ASP . 6.7 mp -105.89 107.54 18.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -116.61 131.14 57.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 58' ' ' ASP . 36.4 tt0 -127.54 148.0 50.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.405 ' N ' ' HG2' ' A' ' 57' ' ' GLN . 14.7 t70 -133.59 77.99 1.75 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.48 -85.31 1.42 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.464 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.3 p -114.25 -21.74 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 111.163 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -87.07 145.77 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.8 m -124.71 169.57 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -160.34 130.29 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.664 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.2 tm? -131.98 117.53 18.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.664 ' N ' HD22 ' A' ' 64' ' ' LEU . 18.1 mt-30 -106.32 147.08 29.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.495 HD13 ' CZ ' ' A' ' 77' ' ' TYR . 18.7 mt -127.22 98.52 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -78.67 132.28 36.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.03 47.18 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.446 HD13 ' HB3' ' A' ' 20' ' ' ALA . 50.9 mt -66.46 131.52 46.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.56 168.98 22.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.461 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 12.9 mmt -49.1 -31.65 8.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.26 -44.62 59.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.2 -32.68 49.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.3 m -51.04 113.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.44 -134.13 1.62 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -141.31 120.43 12.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.345 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.587 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 54.6 m-85 -104.05 150.24 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 m -139.7 125.94 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.1 t -94.92 100.28 12.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.522 HG21 ' HE ' ' A' ' 41' ' ' ARG . 2.2 t -88.28 145.8 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 15.5 p -132.05 15.73 4.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.482 ' H ' HG12 ' A' ' 80' ' ' VAL . . . 131.31 -79.25 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -103.08 -45.36 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -100.58 163.51 12.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.417 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 7.6 ptp180 -162.38 154.06 18.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 87' ' ' SER . 5.7 t -108.96 -176.18 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.438 ' N ' ' OG1' ' A' ' 86' ' ' THR . 2.7 p -160.29 152.85 20.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.866 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -157.72 105.97 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.9 mmm -54.9 127.07 27.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.525 HD23 ' CE1' ' A' ' 77' ' ' TYR . 5.4 tp -106.49 115.37 30.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.464 ' N ' HD12 ' A' ' 90' ' ' LEU . 54.6 m -102.38 125.36 49.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.461 ' O ' ' CE ' ' A' ' 71' ' ' MET . 99.8 t -105.33 95.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -67.6 112.87 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.18 141.64 28.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 48.0 mt -76.51 147.21 78.38 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.579 0.704 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 104.11 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.258 . . . . 0.0 112.353 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.9 mp -67.1 -63.84 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -86.11 115.74 23.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -94.35 87.97 5.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.3 p -64.09 137.72 58.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -114.17 160.74 18.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.5 t -63.28 125.36 23.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.29 71.06 1.01 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.0 m -89.69 115.06 26.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 t -38.32 132.47 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.3 m -70.87 -54.68 10.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -63.21 108.99 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.09 -150.87 18.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 m -151.24 150.75 30.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m -116.45 109.96 17.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.5 -170.17 15.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.53 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 159.05 54.83 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.751 2.301 . . . . 0.0 112.344 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.31 151.56 19.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -105.8 132.16 52.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 97.3 m-85 -62.84 103.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 13' ' ' GLU . 45.2 pt -72.36 -29.74 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.404 ' N ' HG13 ' A' ' 12' ' ' ILE . 37.6 mt-10 -124.66 118.04 25.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.71 135.03 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.964 HG23 ' HB2' ' A' ' 88' ' ' ALA . 30.4 m -54.71 162.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -101.02 152.77 20.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -46.79 148.82 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.615 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.5 tp-100 -111.04 135.93 50.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -150.58 122.17 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.31 148.52 20.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 mtt85 -70.43 143.92 51.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -39.72 154.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.04 22.72 74.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.09 -177.79 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.883 0.373 . . . . 0.0 111.072 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 m -123.33 108.85 13.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.615 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -72.84 154.97 40.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.074 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.724 HG22 ' HG2' ' A' ' 65' ' ' GLN . 92.4 t -137.88 120.89 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 64' ' ' LEU . 9.6 mt -114.69 111.79 21.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.872 ' O ' HG12 ' A' ' 15' ' ' VAL . 86.8 mt-30 -114.51 142.98 45.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 1.2 p -144.5 -178.8 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -140.5 155.29 46.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD21 ' CE1' ' A' ' 11' ' ' PHE . 8.0 mt -131.24 148.34 52.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.37 -14.9 62.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -161.52 146.08 13.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.42 118.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.468 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -159.99 149.86 14.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.566 0.698 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 176.86 6.17 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.368 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.1 m -151.51 161.03 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.695 ' CG ' HG23 ' A' ' 46' ' ' THR . 38.4 tt0 -132.13 80.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.817 ' CD1' HD22 ' A' ' 55' ' ' LEU . 99.4 m95 -49.81 111.66 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -99.59 -174.58 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.671 ' HB2' HD11 ' A' ' 47' ' ' LEU . 8.8 tmtt? -170.97 128.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.95 40.96 0.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m 75.01 45.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 42' ' ' LYS . 2.8 pt-20 -152.0 132.11 13.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.695 HG23 ' CG ' ' A' ' 39' ' ' GLU . 26.8 m -77.49 131.63 38.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.671 HD11 ' HB2' ' A' ' 42' ' ' LYS . 14.3 mt -105.09 168.81 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -147.24 149.67 33.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.78 137.11 56.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.45 -118.93 0.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.32 -62.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -70.14 -24.93 63.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -114.57 141.31 47.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.62 100.11 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.994 HD23 HD23 ' A' ' 64' ' ' LEU . 8.0 mt -98.28 121.53 40.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -130.11 119.28 22.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 42.0 tt0 -110.88 144.31 40.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -133.4 74.12 1.55 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.41 -86.4 1.46 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.7 p -113.77 -23.66 9.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.857 0.361 . . . . 0.0 111.128 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -85.97 143.77 27.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 61.0 m -121.25 169.04 10.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -161.55 132.46 5.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.994 HD23 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -136.65 116.73 13.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.805 ' N ' HD22 ' A' ' 64' ' ' LEU . 21.8 mt-30 -103.23 145.65 29.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.0 mt -123.27 121.19 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -100.93 119.42 38.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.52 42.89 1.1 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.541 ' CD2' HD21 ' A' ' 90' ' ' LEU . 43.9 mt -61.31 111.72 1.87 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -134.91 159.09 42.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.46 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 11.3 mmt -38.76 -31.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.59 67.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 70' ' ' ALA . 9.4 m-20 -54.33 -35.19 62.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.7 m -47.0 104.44 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.95 -130.77 1.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.492 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -146.9 112.53 5.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 10.5 m-85 -95.98 145.22 25.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 m -135.01 126.34 28.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 t -95.71 100.46 12.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.488 HG13 ' HB3' ' A' ' 85' ' ' ARG . 2.1 t -93.32 138.15 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -110.1 -52.81 2.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.23 -65.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -112.22 -33.12 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -116.08 173.97 6.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.574 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -166.54 172.05 11.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 87' ' ' SER . 7.1 t -118.38 -177.35 3.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.406 ' N ' ' OG1' ' A' ' 86' ' ' THR . 0.6 OUTLIER -161.36 145.41 13.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.964 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -151.1 105.03 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.055 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.7 tpp -52.68 127.74 24.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' A' ' 69' ' ' LEU . 8.3 tp -108.09 109.76 21.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.8 m -96.32 124.24 40.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.46 ' O ' ' CE ' ' A' ' 71' ' ' MET . 86.0 t -103.38 95.48 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 -68.36 111.3 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.19 122.66 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.4 mt -43.85 152.82 0.43 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.619 0.723 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 101.25 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.272 . . . . 0.0 112.348 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.768 HG22 ' H ' ' A' ' 99' ' ' PHE . 24.3 mt -51.19 134.27 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -103.45 30.15 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.768 ' H ' HG22 ' A' ' 97' ' ' ILE . 1.3 t80 -112.28 95.2 5.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.6 p -103.93 92.76 4.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.138 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -99.76 134.19 43.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.1 m -68.69 -54.28 17.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.69 -95.35 0.23 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 175.38 8.14 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.267 . . . . 0.0 112.388 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.5 m -95.12 146.62 24.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 27.8 t -110.47 124.99 52.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.436 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.7 p -163.57 158.97 21.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -80.4 -44.34 19.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.8 54.72 0.59 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 m -41.5 132.76 2.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.368 . . . . 0.0 110.9 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -58.43 -53.59 56.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.34 -164.6 12.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 163.18 39.28 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.314 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.21 141.92 28.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.485 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 16.6 ptt180 -118.44 141.31 48.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.577 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 92.3 m-85 -69.11 102.82 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.566 HD11 ' HG2' ' A' ' 31' ' ' GLU . 44.9 pt -71.26 -28.83 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -131.13 123.68 29.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -84.16 129.06 34.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.81 HG12 ' O ' ' A' ' 29' ' ' GLN . 32.8 m -47.0 159.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -94.79 155.51 16.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -50.96 127.42 18.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.509 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -87.96 136.14 33.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -154.92 125.56 6.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.66 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -156.14 153.74 29.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -75.97 147.28 38.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.468 ' HG3' HG12 ' A' ' 92' ' ' VAL . 17.3 mt-10 -48.26 133.2 15.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.18 28.87 16.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.438 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -127.28 -179.79 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 111.066 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.5 m -121.75 105.31 10.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.409 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -65.1 159.27 23.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.509 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 93.0 t -140.71 105.9 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 6.9 mt -100.75 113.13 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.81 ' O ' HG12 ' A' ' 15' ' ' VAL . 69.4 mt-30 -114.3 144.03 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.422 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 5.0 p -140.61 -178.98 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.566 ' HG2' HD11 ' A' ' 12' ' ' ILE . 9.2 tt0 -139.0 146.91 41.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.1 mt -122.81 153.3 39.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.485 ' ND2' ' HG2' ' A' ' 10' ' ' ARG . 24.5 p-10 -67.57 -24.05 65.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.42 ' C ' HG22 ' A' ' 60' ' ' THR . 8.7 t -152.81 151.96 31.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.94 115.72 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.409 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -164.63 153.13 10.97 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.579 0.705 . . . . 0.0 111.099 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 173.26 11.18 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.358 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.411 HG12 ' HB3' ' A' ' 81' ' ' CYS . 21.4 m -155.38 171.88 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.499 ' CD ' ' N ' ' A' ' 40' ' ' TRP . 1.6 tm-20 -138.82 130.53 27.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.543 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 92.5 m95 -97.29 110.27 22.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.419 ' CG ' ' OE1' ' A' ' 39' ' ' GLU . 63.2 mtm180 -94.22 -174.26 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.542 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 16.4 tttt -167.26 125.69 1.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 37.74 42.75 1.1 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 t 74.96 46.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -152.33 133.05 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.47 HG23 ' CD ' ' A' ' 39' ' ' GLU . 81.0 m -81.94 120.31 25.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.415 HD11 ' HB2' ' A' ' 42' ' ' LYS . 11.3 mt -88.51 163.63 15.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -136.68 146.71 46.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.526 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -69.24 129.56 40.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.02 -139.61 2.71 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.95 -55.29 6.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -75.33 -42.56 54.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -94.62 149.98 20.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -145.95 105.06 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 55' ' ' LEU . 5.8 mp -98.54 105.03 17.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -105.92 178.84 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 43.7 tt0 -175.04 143.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -133.82 72.78 1.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.52 -91.73 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.42 HG22 ' C ' ' A' ' 34' ' ' SER . 5.0 p -108.32 -23.75 11.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.821 0.343 . . . . 0.0 111.115 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -84.41 149.41 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 35.7 m -123.87 172.53 8.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -162.64 138.27 7.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.2 tm? -140.55 116.2 10.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.652 ' N ' HD22 ' A' ' 64' ' ' LEU . 20.0 mt-30 -101.05 143.4 31.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.4 mt -122.56 95.89 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.2 mtp85 -75.89 122.92 24.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.24 56.83 0.82 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.66 HD13 ' HB3' ' A' ' 20' ' ' ALA . 51.0 mt -73.78 114.94 12.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.338 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.84 162.28 33.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.8 mmt -42.04 -41.32 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.59 98.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.4 -29.34 64.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.9 m -52.74 104.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.58 -137.98 2.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -133.95 132.34 40.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.542 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 16.3 m-85 -115.6 140.52 49.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.4 m -133.27 125.89 30.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.562 ' HB3' HG22 ' A' ' 86' ' ' THR . 9.1 t -95.04 113.08 24.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 t -101.63 132.93 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 19.4 p -121.0 28.4 7.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.93 -82.7 0.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -103.04 -48.0 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 110.931 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -93.23 168.94 10.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.577 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 2.9 ptp180 -167.44 159.49 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.562 HG22 ' HB3' ' A' ' 79' ' ' CYS . 7.7 t -111.37 -178.74 3.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.1 147.39 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.718 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -162.39 110.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.074 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.22 127.79 33.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.433 HD23 ' CE1' ' A' ' 77' ' ' TYR . 4.8 tp -100.95 113.77 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 35.2 m -98.94 124.03 43.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.468 HG12 ' HG3' ' A' ' 22' ' ' GLU . 98.3 t -105.15 88.49 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -57.29 108.52 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.78 129.03 40.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.4 mt -59.16 153.03 48.82 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 97' ' ' ILE . 53.5 Cg_endo -69.82 95.2 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 96' ' ' PRO . 50.2 mm -34.02 -57.03 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 99' ' ' PHE . 17.4 tptp -118.95 153.57 34.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.416 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 13.8 p90 -104.91 151.21 24.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.826 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.5 p -117.35 128.72 55.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -96.71 173.2 7.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.1 t -57.02 -58.91 6.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 161.82 144.78 4.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 150.29 67.93 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.627 2.218 . . . . 0.0 112.362 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.1 m -97.81 124.36 42.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.1 t 62.18 41.96 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.541 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -75.39 166.7 23.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 110.878 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.9 t -40.32 124.57 1.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.81 54.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 p -108.25 133.21 52.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.829 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -88.93 98.63 11.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.79 -165.23 38.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.487 ' HG3' ' NE2' ' A' ' 83' ' ' GLN . 53.4 Cg_endo -69.74 159.85 51.89 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 2.236 . . . . 0.0 112.354 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.34 145.11 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 ptt-85 -115.14 127.06 55.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 89.7 m-85 -57.63 101.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 13' ' ' GLU . 46.3 pt -68.78 -31.7 51.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.423 ' N ' HG13 ' A' ' 12' ' ' ILE . 4.5 mm-40 -125.68 132.53 52.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.59 125.99 39.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.822 HG23 ' HB2' ' A' ' 88' ' ' ALA . 19.3 m -44.77 159.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -97.76 148.78 23.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -42.87 157.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.651 ' HB3' HD13 ' A' ' 90' ' ' LEU . 5.6 tp-100 -116.86 115.6 25.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -124.85 103.99 8.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.21 153.33 43.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.043 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -86.27 156.49 20.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.546 ' HG3' HG12 ' A' ' 92' ' ' VAL . 23.0 mt-10 -52.21 133.12 34.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.03 27.54 15.99 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -125.37 179.84 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.8 m -120.03 105.63 11.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.122 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.498 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -64.35 154.98 33.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.626 HG22 ' HG2' ' A' ' 65' ' ' GLN . 57.6 t -139.95 114.57 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.532 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 11.6 mt -114.73 114.21 25.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.797 ' O ' HG12 ' A' ' 15' ' ' VAL . 76.2 mt-30 -116.72 142.79 46.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.427 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 3.3 p -140.63 171.74 13.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -132.32 154.54 49.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.535 HD21 ' CE1' ' A' ' 11' ' ' PHE . 9.1 mt -131.09 148.48 52.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -20.42 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.3 t -156.58 141.53 17.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.585 ' N ' HG22 ' A' ' 60' ' ' THR . . . -39.44 109.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.07 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.07 149.74 30.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 111.089 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 176.37 6.81 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.736 2.291 . . . . 0.0 112.343 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.463 HG11 ' SG ' ' A' ' 62' ' ' CYS . 21.2 m -154.72 159.58 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.555 ' CG ' HG23 ' A' ' 46' ' ' THR . 32.8 tt0 -135.04 85.65 2.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.583 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 97.5 m95 -53.03 118.76 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.435 ' NE ' HG21 ' A' ' 80' ' ' VAL . 94.3 mtt180 -106.92 -178.84 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.574 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 5.9 tmtt? -167.03 131.32 1.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.95 52.3 0.67 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m 64.67 52.76 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 110.834 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -158.28 154.96 28.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.555 HG23 ' CG ' ' A' ' 39' ' ' GLU . 96.8 m -96.34 134.59 39.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.128 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.485 HD12 ' HB3' ' A' ' 40' ' ' TRP . 17.3 mt -100.22 163.52 12.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.9 mmm-85 -147.19 159.76 43.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.544 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -80.37 147.09 31.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.9 -131.76 1.37 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.498 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -88.36 -44.66 10.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -87.77 -38.1 16.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -92.72 158.54 15.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -151.01 105.07 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.805 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.544 HD13 ' N ' ' A' ' 49' ' ' ASP . 6.6 mp -103.31 103.48 13.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -110.5 174.83 5.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -170.34 137.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -123.02 75.19 1.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.01 -85.46 1.57 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.585 HG22 ' N ' ' A' ' 35' ' ' ALA . 54.8 p -111.87 -23.68 10.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.379 . . . . 0.0 111.155 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -85.39 141.22 30.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.463 ' SG ' HG11 ' A' ' 38' ' ' VAL . 17.0 m -117.44 172.07 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -160.61 136.87 8.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.59 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.2 tm? -140.09 112.95 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.626 ' HG2' HG22 ' A' ' 27' ' ' VAL . 25.6 mt-30 -103.28 142.6 33.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.2 mt -123.26 97.51 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -78.74 131.6 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.44 50.97 2.63 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.1 mt -62.78 149.36 44.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -158.26 170.93 21.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.0 mmt -53.45 -51.12 63.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.93 -44.7 50.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -55.23 -27.45 46.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.6 m -55.71 102.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.87 -128.33 0.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -138.91 129.02 25.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.574 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 27.5 m-85 -112.36 137.24 50.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 m -134.68 130.92 37.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 t -99.88 109.16 21.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.469 HG13 ' HB3' ' A' ' 85' ' ' ARG . 1.6 t -98.36 138.58 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.4 -43.54 3.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.42 -64.06 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.487 ' NE2' ' HG3' ' A' ' 8' ' ' PRO . 37.5 mt-30 -106.14 -39.09 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -115.84 169.55 9.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 8.8 ptp180 -160.22 166.84 28.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 87' ' ' SER . 5.4 t -114.96 -178.0 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.164 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.432 ' N ' ' OG1' ' A' ' 86' ' ' THR . 0.9 OUTLIER -156.65 148.11 22.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.822 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -160.2 106.88 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.7 tpp -56.97 137.96 54.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.651 HD13 ' HB3' ' A' ' 18' ' ' GLN . 6.9 tp -114.27 103.13 10.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.2 m -90.36 117.37 29.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.546 HG12 ' HG3' ' A' ' 22' ' ' GLU . 90.2 t -96.75 86.79 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -58.62 104.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.89 139.39 17.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.8 mt -54.64 144.42 44.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.581 0.705 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 100.96 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.776 ' H ' HD12 ' A' ' 97' ' ' ILE . 5.4 mp -41.16 -53.32 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -124.08 131.45 53.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -90.84 119.08 30.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.7 m -84.35 141.33 30.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -138.43 141.17 39.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.0 t -158.06 138.69 12.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.836 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -115.8 -155.21 10.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 139.3 39.98 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.8 t -168.14 168.08 11.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 m -83.02 115.95 22.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m 44.78 42.72 6.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.1 p -67.46 -41.61 84.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.29 105.63 1.04 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.6 p -92.65 -47.13 7.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 t -60.37 -46.87 88.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.58 153.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.47 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 164.76 33.34 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.45 141.07 51.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 -120.93 136.67 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 92.3 m-85 -63.65 101.24 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 45.9 pt -70.63 -31.37 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -124.93 117.17 23.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.42 136.89 35.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.813 HG12 ' O ' ' A' ' 29' ' ' GLN . 22.3 m -56.47 165.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -106.73 150.91 25.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -42.53 152.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.597 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 5.8 tp-100 -114.33 113.73 24.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -123.88 103.05 8.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.7 149.47 47.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -77.05 154.35 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.671 ' O ' HD11 ' A' ' 95' ' ' LEU . 15.0 mt-10 -53.09 140.76 24.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.03 28.85 39.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -125.41 -175.6 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 111.072 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.5 m -123.78 107.43 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.597 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -62.35 168.67 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.416 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 24.0 t -149.92 112.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.179 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.591 HD12 HD12 ' A' ' 64' ' ' LEU . 10.1 mt -112.51 108.49 17.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.813 ' O ' HG12 ' A' ' 15' ' ' VAL . 84.7 mt-30 -110.99 139.61 46.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.517 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 8.0 p -142.34 168.6 19.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -130.29 153.43 48.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.0 mt -123.91 153.26 41.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.454 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -68.61 -20.8 64.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 t -156.6 145.73 20.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.83 117.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -164.95 151.45 9.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 175.76 7.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m -151.3 171.39 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -146.56 106.21 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.767 ' CD1' HD22 ' A' ' 55' ' ' LEU . 86.8 m95 -73.74 120.97 20.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -112.4 -178.82 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.583 ' HD2' ' CE1' ' A' ' 77' ' ' TYR . 13.1 tttp -162.22 128.82 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 32.61 55.48 0.47 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.45 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m 64.53 52.7 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -154.99 138.3 15.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.0 m -89.66 129.56 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 42' ' ' LYS . 8.7 mt -100.32 171.74 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 4.9 mmm180 -152.82 146.75 25.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.15 137.18 57.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.75 -128.07 0.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.14 -55.81 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.9 mtm-85 -75.29 -44.5 45.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -92.17 139.94 30.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.7 97.63 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.821 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.024 HD23 HD23 ' A' ' 64' ' ' LEU . 4.6 mt -94.47 121.69 36.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -129.79 117.94 21.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -112.39 142.55 44.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -134.58 76.07 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.18 -90.72 1.57 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.436 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.4 p -110.57 -22.94 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -86.65 148.1 25.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 64.9 m -129.23 170.3 13.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 35.1 tt0 -162.49 134.06 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.024 HD23 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -135.83 110.45 8.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.657 ' N ' HD22 ' A' ' 64' ' ' LEU . 26.4 mt-30 -96.7 147.57 23.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.55 HD13 ' CZ ' ' A' ' 77' ' ' TYR . 42.7 mt -125.72 100.92 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -85.7 123.37 31.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.35 47.18 1.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.656 HD21 HD21 ' A' ' 90' ' ' LEU . 28.9 mt -65.16 142.72 58.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.754 0.311 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.24 158.06 23.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.9 mmt -42.44 -31.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.61 -44.78 61.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.41 -32.9 51.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.2 m -47.08 117.12 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -168.15 -138.49 2.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -137.19 118.56 14.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.354 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.583 ' CE1' ' HD2' ' A' ' 42' ' ' LYS . 86.3 m-85 -100.2 139.3 36.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -132.62 121.11 22.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.0 t -93.61 104.68 16.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.0 t -93.38 135.11 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.587 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 19.2 p -107.55 -39.69 5.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 179.05 -64.31 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -103.28 -39.52 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -118.63 170.21 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 3.6 ptt-85 -158.27 166.03 33.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.5 t -116.64 -176.86 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.06 149.34 21.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.808 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -159.29 105.06 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.9 tpp -56.94 129.38 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.656 HD21 HD21 ' A' ' 69' ' ' LEU . 9.4 tp -104.97 100.41 10.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 48.7 m -88.01 111.51 21.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.595 HG22 HD22 ' A' ' 69' ' ' LEU . 81.6 t -88.07 89.18 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -56.32 110.87 0.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.66 135.09 57.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.671 HD11 ' O ' ' A' ' 22' ' ' GLU . 17.4 mt -68.47 151.47 97.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.6 0.714 . . . . 0.0 110.938 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 104.78 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.316 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.86 136.98 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -51.4 -53.71 33.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.0 t80 70.77 45.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 101' ' ' GLU . 5.5 t -54.66 -28.05 44.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 100' ' ' THR . 4.9 tp10 34.66 47.37 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 t -84.91 -56.06 3.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -121.17 144.14 16.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 100.98 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.377 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.6 m -65.51 160.03 23.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 t -70.99 154.66 41.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.511 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -91.68 115.8 28.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.886 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -90.07 157.48 17.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.856 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.97 96.37 1.71 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.531 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 m -120.67 41.4 3.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.875 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 t -133.56 129.27 36.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.25 -103.29 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.53 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 159.38 53.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.274 . . . . 0.0 112.311 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.56 134.61 55.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -114.14 134.38 54.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 59.0 m-85 -61.55 93.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.658 HD11 ' HG2' ' A' ' 31' ' ' GLU . 46.4 pt -60.58 -27.6 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -129.85 137.14 50.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.0 126.8 50.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.78 HG12 ' O ' ' A' ' 29' ' ' GLN . 16.0 m -47.9 166.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -176.04 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -69.46 137.46 52.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.531 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.2 tp-100 -100.81 131.0 46.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -141.98 130.36 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.478 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -162.96 144.92 10.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -73.03 144.29 47.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.74 ' O ' HD11 ' A' ' 95' ' ' LEU . 34.7 mt-10 -40.55 139.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.23 25.63 50.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.465 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -117.7 -177.09 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.4 m -125.83 101.57 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.531 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -56.88 160.87 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.3 t -145.64 107.02 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.669 HD12 HD12 ' A' ' 64' ' ' LEU . 10.7 mt -104.55 117.02 33.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.78 ' O ' HG12 ' A' ' 15' ' ' VAL . 76.8 mt-30 -113.71 142.16 46.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 p -146.81 177.19 9.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.658 ' HG2' HD11 ' A' ' 12' ' ' ILE . 4.2 tt0 -135.95 159.45 41.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.479 HD11 ' CG1' ' A' ' 38' ' ' VAL . 31.7 mt -127.44 152.99 46.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.472 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -73.41 -1.99 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.511 ' C ' HG22 ' A' ' 60' ' ' THR . 1.1 m -174.45 150.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.07 113.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -167.72 150.2 5.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 176.51 6.71 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG1' HD11 ' A' ' 32' ' ' LEU . 24.1 m -155.95 -176.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -151.54 125.64 9.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.582 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 89.7 m95 -90.27 115.51 27.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -101.57 -173.9 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.513 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 3.4 tttm -170.28 126.0 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.77 54.09 1.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.49 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m 64.26 49.87 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' CD ' ' HB3' ' A' ' 42' ' ' LYS . 2.1 pt-20 -152.02 139.09 19.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.4 m -92.38 120.39 32.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.7 mt -88.12 164.96 15.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -143.01 150.05 39.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.491 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -69.84 128.03 34.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -158.15 -143.0 3.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -73.66 -51.17 17.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -81.1 -40.91 23.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -95.44 151.45 19.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.19 105.44 3.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 55' ' ' LEU . 6.6 mp -102.48 102.71 13.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -108.04 175.98 5.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 58' ' ' ASP . 5.2 tt0 -170.28 145.66 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' N ' ' HG2' ' A' ' 57' ' ' GLN . 1.6 t70 -133.03 74.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.48 -88.28 1.57 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.511 HG22 ' C ' ' A' ' 34' ' ' SER . 14.0 p -111.31 -25.0 9.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 111.118 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -83.44 155.64 23.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.5 m -131.31 173.31 11.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -163.4 130.19 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.669 HD12 HD12 ' A' ' 28' ' ' LEU . 1.1 tm? -129.44 118.88 22.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.649 ' N ' HD22 ' A' ' 64' ' ' LEU . 33.1 mt-30 -105.63 139.52 40.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.9 mt -121.19 95.8 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -81.19 128.82 34.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.18 43.89 2.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' A' ' 20' ' ' ALA . 65.5 mt -61.7 143.0 56.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 110.932 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -160.56 160.16 31.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.8 mmt -37.69 -45.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.39 -43.17 88.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER -56.03 -31.85 63.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.8 m -50.0 104.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.09 -141.35 3.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.71 142.4 50.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.513 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 21.1 m-85 -125.08 139.76 53.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 m -130.96 121.66 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.407 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 5.6 t -92.32 106.06 18.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 t -93.07 142.24 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 25.9 p -118.84 -31.38 4.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 174.68 -70.95 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -104.66 -33.55 8.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -117.24 162.87 17.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.531 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 4.8 ptp180 -158.8 157.35 31.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.8 t -104.41 -177.58 3.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 p -161.3 143.36 11.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.519 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -164.29 123.06 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.064 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 19.6 mtp -67.64 147.73 52.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.406 HD21 ' CD2' ' A' ' 69' ' ' LEU . 4.7 tp -119.49 108.27 14.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 64.5 m -89.94 127.38 36.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.409 HG12 ' HG3' ' A' ' 22' ' ' GLU . 86.6 t -108.71 86.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -57.38 103.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.408 ' HA ' ' CD ' ' A' ' 22' ' ' GLU . . . -49.89 143.33 7.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.74 HD11 ' O ' ' A' ' 22' ' ' GLU . 15.2 mt -75.08 149.53 85.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 104.9 1.39 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.64 2.227 . . . . 0.0 112.354 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 65.0 mt -63.6 -64.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.29 131.05 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -43.43 109.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.8 m -57.38 121.98 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.75 81.58 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.9 t -142.98 147.89 35.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -103.52 95.36 1.2 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -6.48 18.69 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.367 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.4 m -81.48 174.04 11.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.1 t -47.77 -55.05 10.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t -106.45 106.41 16.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 110.841 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 m -126.67 113.12 16.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.31 147.07 18.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -134.41 147.03 50.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -89.85 41.91 1.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.17 166.78 0.55 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 159.24 54.13 Favored 'Trans proline' 0 C--O 1.23 0.125 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.34 134.89 46.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -118.92 126.39 51.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 97.4 m-85 -50.16 96.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 44.3 pt -64.37 -31.49 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.426 ' N ' HG13 ' A' ' 12' ' ' ILE . 22.7 mm-40 -122.88 128.9 50.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -90.12 134.67 34.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.942 HG12 ' O ' ' A' ' 29' ' ' GLN . 33.2 m -55.59 163.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -102.26 150.73 23.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -42.16 161.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.553 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.5 tp-100 -126.07 132.01 52.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -146.39 134.72 21.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.11 152.66 3.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -78.61 151.23 32.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.695 ' O ' HD11 ' A' ' 95' ' ' LEU . 13.8 mt-10 -44.44 144.88 0.94 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.55 28.92 56.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.562 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -118.54 -174.83 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.898 0.38 . . . . 0.0 111.073 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.5 m -128.94 106.77 9.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.553 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -69.74 154.93 41.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.051 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.65 HG22 ' HG2' ' A' ' 65' ' ' GLN . 95.3 t -138.66 118.96 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.462 HD12 HD12 ' A' ' 64' ' ' LEU . 9.4 mt -117.7 112.76 20.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.942 ' O ' HG12 ' A' ' 15' ' ' VAL . 78.4 mt-30 -114.1 145.04 42.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.453 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 3.9 p -147.28 169.47 19.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -131.58 148.66 52.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD21 ' CE1' ' A' ' 11' ' ' PHE . 12.1 mt -120.55 147.43 45.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.2 t30 -58.81 -22.92 59.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' ALA . 12.1 t -162.46 144.93 11.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.52 ' N ' HG22 ' A' ' 60' ' ' THR . . . -34.06 117.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.423 ' HB3' HD13 ' A' ' 32' ' ' LEU . . . -159.83 148.89 14.05 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.577 0.703 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.434 ' O ' HG13 ' A' ' 38' ' ' VAL . 53.4 Cg_endo -69.82 178.49 4.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.645 2.23 . . . . 0.0 112.308 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 37' ' ' PRO . 18.8 m -156.99 159.8 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.662 ' CG ' HG23 ' A' ' 46' ' ' THR . 32.4 tt0 -134.7 85.97 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.879 ' CD1' HD22 ' A' ' 55' ' ' LEU . 99.3 m95 -53.21 113.96 1.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -102.71 -176.85 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.526 ' HB2' HD11 ' A' ' 47' ' ' LEU . 34.2 tttt -168.83 130.6 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.7 45.26 0.36 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.537 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m 70.82 50.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 110.856 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -156.63 130.35 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.662 HG23 ' CG ' ' A' ' 39' ' ' GLU . 53.5 m -75.82 134.24 40.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' ' 42' ' ' LYS . 7.7 mt -106.78 165.27 11.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -147.29 150.36 34.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -64.11 137.91 58.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.68 -126.98 0.87 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -88.47 -49.21 7.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.812 0.339 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -82.48 -41.2 20.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -94.34 139.99 30.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.43 96.82 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.972 HD23 HD23 ' A' ' 64' ' ' LEU . 5.8 mt -93.56 120.64 34.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -129.59 112.52 13.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -107.19 140.5 39.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -128.88 78.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.84 -89.18 1.25 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.52 HG22 ' N ' ' A' ' 35' ' ' ALA . 23.0 p -109.34 -25.85 10.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 111.147 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -83.34 155.04 23.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.7 m -133.16 173.3 11.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 40.0 tt0 -165.1 138.64 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.972 HD23 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -141.69 114.3 8.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.65 ' HG2' HG22 ' A' ' 27' ' ' VAL . 43.4 mt-30 -102.5 146.52 28.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.4 mt -123.16 99.64 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -80.02 123.04 27.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.41 54.86 1.13 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.562 HD12 ' HB3' ' A' ' 24' ' ' ALA . 43.4 mt -67.43 112.27 4.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -122.95 146.9 47.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.427 ' SD ' ' HB2' ' A' ' 94' ' ' ALA . 77.0 mmm -38.23 -39.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.63 98.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 70' ' ' ALA . 87.8 m-20 -54.53 -36.82 64.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.5 m -39.71 114.11 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.74 -140.85 2.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.445 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -135.94 114.66 11.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 42' ' ' LYS . 22.7 m-85 -97.22 140.81 31.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -133.29 124.55 27.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.0 t -94.93 100.19 12.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.477 ' HA ' ' CB ' ' A' ' 85' ' ' ARG . 2.4 t -94.01 137.82 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.63 -53.66 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -161.64 -61.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -108.9 -38.03 5.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.741 0.305 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -117.3 172.58 7.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.578 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -165.27 171.05 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.2 t -123.94 179.67 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 p -158.07 155.74 29.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.794 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -157.66 105.23 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 71.1 mmm -52.28 126.96 20.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.469 HD23 ' CE1' ' A' ' 77' ' ' TYR . 6.5 tp -108.22 115.7 30.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.434 ' N ' HD12 ' A' ' 90' ' ' LEU . 86.7 m -102.15 126.14 49.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.4 t -107.44 96.95 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -70.6 113.93 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.427 ' HB2' ' SD ' ' A' ' 71' ' ' MET . . . -52.54 147.7 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.695 HD11 ' O ' ' A' ' 22' ' ' GLU . 36.1 mt -85.66 143.57 38.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.565 0.698 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 106.58 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 51.1 mt -82.98 138.61 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -89.41 100.66 13.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -122.28 173.6 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.3 t -134.73 148.21 50.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -141.36 155.15 45.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.8 t -104.6 126.44 51.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 104' ' ' PRO . . . -38.92 108.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 103' ' ' GLY . 53.8 Cg_endo -69.74 157.22 61.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.649 2.233 . . . . 0.0 112.36 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.2 t -81.26 46.51 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.1 t -155.92 110.5 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -121.02 110.76 16.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.932 0.396 . . . . 0.0 110.87 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -150.9 132.58 14.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.96 75.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 t -167.89 124.47 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 m -63.24 104.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.87 -169.56 11.96 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 160.44 49.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.33 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.41 133.53 55.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 14.3 ptt-85 -108.67 148.44 30.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 73.5 m-85 -74.08 93.1 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.441 HG13 ' N ' ' A' ' 13' ' ' GLU . 40.3 pt -60.1 -32.82 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.441 ' N ' HG13 ' A' ' 12' ' ' ILE . 13.9 mm-40 -124.67 134.06 53.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.62 129.39 42.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.938 HG12 ' O ' ' A' ' 29' ' ' GLN . 34.0 m -47.33 162.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -98.64 152.97 19.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -47.65 127.2 11.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.504 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -88.68 133.92 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -155.37 125.56 6.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.439 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -156.0 150.42 25.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.9 ptt85 -73.01 151.89 41.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -51.13 137.55 21.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.14 32.86 16.01 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -132.04 -178.28 4.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.8 m -125.4 103.26 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HB1' ' OE1' ' A' ' 18' ' ' GLN . . . -58.59 162.04 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.818 HG22 ' HG2' ' A' ' 65' ' ' GLN . 82.1 t -143.22 106.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.458 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 7.7 mt -102.11 117.75 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.938 ' O ' HG12 ' A' ' 15' ' ' VAL . 75.6 mt-30 -116.68 145.51 43.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.5 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 3.5 p -146.7 174.37 11.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.433 ' HG2' HD11 ' A' ' 12' ' ' ILE . 24.4 tt0 -134.71 160.5 37.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.8 mt -133.4 153.25 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -66.61 -24.42 66.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 t -152.95 152.25 31.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.24 111.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -158.87 151.03 17.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 176.04 7.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.8 m -150.31 176.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 80' ' ' VAL . 9.0 tt0 -150.5 105.29 3.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.773 ' CD1' HD22 ' A' ' 55' ' ' LEU . 83.7 m95 -72.82 128.13 34.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -111.68 169.54 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.426 ' HB2' HD21 ' A' ' 47' ' ' LEU . 18.6 tttt -134.98 92.71 2.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.38 -82.23 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.5 p -135.01 30.21 3.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.845 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -141.2 173.77 11.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.459 HG23 ' HG2' ' A' ' 39' ' ' GLU . 26.1 m -114.88 140.59 48.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' A' ' 42' ' ' LYS . 15.8 mt -105.73 165.6 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -151.43 143.25 23.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -52.73 120.93 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.31 -128.21 1.54 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -88.05 -56.91 3.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -74.52 -42.52 58.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -89.94 138.19 31.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.13 97.08 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.863 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.976 HD23 HD23 ' A' ' 64' ' ' LEU . 6.0 mt -93.6 119.29 32.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -129.49 109.63 11.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.454 ' HG2' ' N ' ' A' ' 58' ' ' ASP . 4.6 tt0 -106.68 146.09 31.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 57' ' ' GLN . 8.0 t0 -133.86 71.76 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.19 -89.93 1.63 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.0 p -109.83 -23.75 11.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.117 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -87.28 151.1 23.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 58.3 m -128.8 175.21 8.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -166.92 123.35 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.976 HD23 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -128.0 117.32 21.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.818 ' HG2' HG22 ' A' ' 27' ' ' VAL . 29.1 mt-30 -106.25 149.28 27.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.2 mt -124.12 95.51 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -75.53 126.43 30.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.403 ' O ' ' OD2' ' A' ' 73' ' ' ASP . . . 97.88 53.87 1.26 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.518 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.439 HD13 ' HB3' ' A' ' 20' ' ' ALA . 53.1 mt -69.66 143.9 53.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.03 171.39 17.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.407 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 12.7 mmt -53.48 -38.89 64.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.99 -43.36 88.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.403 ' OD2' ' O ' ' A' ' 68' ' ' GLY . 75.9 m-20 -53.98 -36.49 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.0 m -43.54 105.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.31 -144.76 4.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -131.88 133.01 44.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.492 ' CE1' HD23 ' A' ' 90' ' ' LEU . 15.4 m-85 -117.94 142.86 46.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -134.36 119.62 18.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.554 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 2.3 t -87.37 99.01 11.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.841 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 39' ' ' GLU . 2.3 t -87.05 134.0 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 25.4 p -111.03 -37.52 5.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -179.02 -77.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -96.51 -31.71 12.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.431 ' CG ' ' HA ' ' A' ' 10' ' ' ARG . 1.1 pm0 -121.24 167.88 12.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.54 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 7.2 ptp180 -159.96 158.74 31.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.8 t -108.11 176.89 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 p -155.34 149.1 25.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.685 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -158.52 115.46 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 70.2 mmm -62.74 121.85 14.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.492 HD23 ' CE1' ' A' ' 77' ' ' TYR . 5.4 tp -98.06 110.73 23.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 73.1 m -100.26 129.04 46.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.407 ' O ' ' CE ' ' A' ' 71' ' ' MET . 85.3 t -107.65 96.46 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -67.81 112.87 5.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.3 132.27 53.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.7 mt -43.34 148.14 0.68 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 103.29 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.682 2.254 . . . . 0.0 112.318 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 27.6 mm -64.11 139.03 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -80.66 42.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -136.81 105.31 5.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.2 t -121.61 134.72 55.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -111.24 -56.98 2.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.4 m -114.71 157.74 22.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.9 -74.45 1.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.517 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 133.52 25.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.0 t -62.82 -44.53 95.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.7 p -73.1 118.42 16.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.4 p -161.09 177.26 10.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -157.45 169.15 25.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.55 127.23 5.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -92.13 167.69 11.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -60.57 131.14 49.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.96 121.24 0.57 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 167.32 24.79 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.94 141.41 34.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -118.13 133.15 56.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.584 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 81.7 m-85 -66.82 103.94 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.68 HD11 ' HG2' ' A' ' 31' ' ' GLU . 45.5 pt -70.59 -32.05 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.422 ' N ' HG13 ' A' ' 12' ' ' ILE . 11.2 mm-40 -128.3 131.62 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -91.69 135.95 33.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.978 HG12 ' O ' ' A' ' 29' ' ' GLN . 31.5 m -56.0 163.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -102.93 147.12 27.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -39.51 152.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -114.42 131.62 56.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -148.45 128.39 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.01 150.42 9.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -73.85 148.3 42.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -44.27 146.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.84 30.95 55.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.29 -179.62 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 111.093 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.5 m -121.87 102.38 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.47 169.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -153.95 108.93 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.438 HD12 HD12 ' A' ' 64' ' ' LEU . 10.1 mt -111.79 107.96 17.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.978 ' O ' HG12 ' A' ' 15' ' ' VAL . 77.0 mt-30 -108.74 145.12 35.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.457 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 7.1 p -147.1 173.18 12.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.68 ' HG2' HD11 ' A' ' 12' ' ' ILE . 23.6 tt0 -134.03 150.07 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.422 HD11 ' CG1' ' A' ' 38' ' ' VAL . 14.1 mt -120.0 150.13 41.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.485 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -67.91 -20.42 65.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.8 t -153.29 145.43 23.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.03 115.45 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.6 151.38 7.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.534 0.683 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 170.06 17.55 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.633 2.222 . . . . 0.0 112.345 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.422 ' CG1' HD11 ' A' ' 32' ' ' LEU . 21.9 m -148.12 178.44 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.412 ' CG ' HG23 ' A' ' 46' ' ' THR . 2.6 tp10 -145.5 124.97 13.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.749 ' CD1' HD22 ' A' ' 55' ' ' LEU . 84.5 m95 -91.58 113.07 25.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.651 ' HE ' HG21 ' A' ' 80' ' ' VAL . 34.3 mtt-85 -100.64 -179.06 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.605 ' HB2' HD11 ' A' ' 47' ' ' LEU . 5.3 tttm -171.42 113.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.06 41.81 60.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 t 71.33 49.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -152.5 128.69 10.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.412 HG23 ' CG ' ' A' ' 39' ' ' GLU . 53.3 m -79.13 124.6 28.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' A' ' 42' ' ' LYS . 13.7 mt -99.33 160.37 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.501 ' HA ' HD11 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -138.43 169.65 17.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.18 128.22 34.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.09 -129.83 1.17 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -84.65 -56.03 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 mtm105 -76.86 -42.06 41.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -93.77 141.36 28.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.28 101.75 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.111 HD23 HD23 ' A' ' 64' ' ' LEU . 2.1 mt -97.82 118.85 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -117.92 177.69 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.794 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -171.55 135.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -125.47 68.48 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.12 -85.05 1.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.2 p -112.58 -23.06 10.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -85.96 149.09 25.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.2 m -128.55 166.48 18.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -153.19 152.32 31.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.111 HD23 HD23 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -151.58 111.56 4.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.574 ' N ' HD22 ' A' ' 64' ' ' LEU . 14.7 mt-30 -97.19 149.52 21.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.407 HD13 ' CZ ' ' A' ' 77' ' ' TYR . 26.6 mt -127.56 93.42 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -75.94 134.85 40.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.11 42.83 4.24 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.92 111.41 1.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 110.929 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.19 162.63 27.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 11.6 mmt -43.18 -34.39 1.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.73 -43.55 72.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.15 -33.2 62.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.0 m -46.58 105.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.33 -153.72 7.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -123.0 129.38 51.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.668 ' CE1' HD23 ' A' ' 90' ' ' LEU . 21.3 m-85 -112.79 142.27 45.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.0 m -132.31 122.04 24.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 t -91.91 106.63 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.651 HG21 ' HE ' ' A' ' 41' ' ' ARG . 2.8 t -93.05 144.35 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.584 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 17.1 p -131.83 38.46 3.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.12 -76.85 0.31 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -114.99 -46.58 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -95.7 166.45 11.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.572 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -163.56 166.45 22.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.0 t -113.32 -174.94 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 p -160.86 146.81 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.813 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -156.16 105.6 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 70.4 mmm -51.15 134.55 26.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.668 HD23 ' CE1' ' A' ' 77' ' ' TYR . 6.8 tp -115.69 116.86 28.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.7 m -105.28 130.22 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.433 ' O ' ' CE ' ' A' ' 71' ' ' MET . 61.3 t -107.55 90.39 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -59.99 107.45 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.35 128.64 35.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.6 mt -43.17 146.68 0.8 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.628 0.727 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 104.74 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 33.3 mm -60.72 145.72 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.433 ' NZ ' ' HA ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -112.37 116.89 31.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -173.67 121.42 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.2 p -83.29 121.13 26.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -39.91 -60.94 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.7 m 59.26 35.55 23.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -90.39 -70.9 1.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 2.78 3.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.298 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.1 t -114.36 154.53 27.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.5 p -154.17 168.82 25.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 p -135.29 123.11 22.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.9 0.381 . . . . 0.0 110.833 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -168.41 145.32 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.11 112.14 0.51 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.445 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -84.28 -49.6 8.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.831 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 m -57.43 97.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.97 -158.08 28.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 159.01 55.03 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.372 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.76 143.18 50.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.426 ' HA ' ' CD ' ' A' ' 84' ' ' GLU . 5.4 ptp85 -109.79 138.27 46.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.595 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 65.0 m-85 -74.07 100.54 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.478 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 42.9 pt -71.38 -28.18 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -126.31 128.76 47.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -93.67 138.24 32.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.954 HG12 ' O ' ' A' ' 29' ' ' GLN . 21.0 m -59.54 158.85 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 25.6 mmtp -92.85 167.18 12.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.69 127.22 30.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.504 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -83.8 133.0 34.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -153.06 107.73 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.51 164.53 29.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -82.81 155.54 24.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' HG3' HG12 ' A' ' 92' ' ' VAL . 14.8 mt-10 -55.82 139.75 44.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.54 -0.5 88.31 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.07 179.32 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.7 m -117.43 111.24 19.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.93 159.08 29.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.645 HG22 ' HG2' ' A' ' 65' ' ' GLN . 92.1 t -142.74 112.28 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 8.3 mt -110.81 113.59 26.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.954 ' O ' HG12 ' A' ' 15' ' ' VAL . 79.4 mt-30 -111.02 151.04 28.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.39 179.08 9.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -142.24 149.77 40.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 mt -121.79 151.97 40.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.478 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -71.22 -11.19 60.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.0 t -162.72 140.93 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.65 119.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.19 151.66 7.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.572 0.701 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 177.35 5.65 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.5 m -150.83 164.47 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.635 ' CG ' HG23 ' A' ' 46' ' ' THR . 33.1 tt0 -135.02 93.67 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.545 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 99.5 m95 -64.2 118.26 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.584 ' CZ ' HG21 ' A' ' 80' ' ' VAL . 82.4 mtt180 -106.24 -174.74 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.596 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 8.3 tmtt? -169.09 133.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.45 49.83 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.4 m 66.48 51.86 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' OE2' ' CD ' ' A' ' 42' ' ' LYS . 2.1 pt-20 -156.49 142.47 18.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.635 HG23 ' CG ' ' A' ' 39' ' ' GLU . 86.5 m -89.18 131.15 35.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.9 mt -100.77 166.76 10.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.962 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -141.71 153.08 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.701 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -72.53 118.01 14.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -145.81 -139.87 3.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -76.57 -54.18 7.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.861 0.362 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -74.84 -42.43 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -90.72 140.19 30.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.472 ' C ' HD12 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -134.52 112.12 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.822 -179.826 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.701 HD13 ' CB ' ' A' ' 49' ' ' ASP . 2.7 mp -103.91 113.65 27.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -120.61 120.29 35.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -118.06 145.24 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -131.87 67.58 1.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.13 -82.52 1.61 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 52.2 p -116.23 -17.43 10.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.351 . . . . 0.0 111.114 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -89.24 146.54 24.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 21.9 m -125.91 162.13 25.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -158.38 124.31 4.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.678 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -123.87 118.82 27.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.678 ' N ' HD22 ' A' ' 64' ' ' LEU . 21.4 mt-30 -107.19 134.66 49.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.3 mt -113.43 99.07 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.1 mtp85 -77.99 123.96 27.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.71 53.7 1.29 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.0 mt -67.62 138.56 56.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -148.33 171.88 15.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.465 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 7.6 mmt -56.65 -42.21 78.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.11 -37.02 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -62.07 -29.5 70.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.3 m -53.35 111.63 0.74 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.093 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.28 -125.7 0.82 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -145.03 123.7 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.639 ' CE1' HD23 ' A' ' 90' ' ' LEU . 2.0 m-85 -107.83 149.38 28.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 86' ' ' THR . 1.6 m -138.54 128.34 25.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.2 t -102.09 105.43 16.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.584 HG21 ' CZ ' ' A' ' 41' ' ' ARG . 1.9 t -93.25 148.97 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.595 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 29.4 p -122.9 -39.85 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.85 -71.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -100.54 -40.42 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.942 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.426 ' CD ' ' HA ' ' A' ' 10' ' ' ARG . 7.2 pt-20 -117.52 175.09 5.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -161.42 171.38 18.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 78' ' ' SER . 6.8 t -127.92 159.86 33.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.37 159.15 42.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.891 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -156.46 107.06 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.09 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 58.4 mmm -48.6 120.28 3.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.639 HD23 ' CE1' ' A' ' 77' ' ' TYR . 3.8 tp -100.49 121.93 42.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.601 ' N ' HD12 ' A' ' 90' ' ' LEU . 3.2 m -112.96 118.46 34.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.465 ' O ' ' CE ' ' A' ' 71' ' ' MET . 78.7 t -95.17 103.3 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -70.26 104.05 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.79 127.25 22.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.7 mt -55.05 155.85 7.97 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 98.15 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.634 2.223 . . . . 0.0 112.342 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 76.8 mt -60.77 -71.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -50.01 152.57 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -136.33 168.16 19.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 43.2 p 47.96 40.1 12.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -53.72 169.2 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.9 t -139.02 119.37 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 167.33 134.5 1.71 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 88.11 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.647 2.231 . . . . 0.0 112.402 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.4 t -49.59 101.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.8 m -127.83 147.67 50.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p -68.59 -49.61 58.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -46.44 143.63 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.72 -53.0 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -137.67 156.8 47.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 110.832 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -49.75 -53.27 26.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.65 -161.09 23.71 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 161.13 47.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.676 2.251 . . . . 0.0 112.293 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.92 137.68 53.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -114.3 144.2 43.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.594 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 80.4 m-85 -70.42 102.36 2.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 43.3 pt -71.6 -30.13 37.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 12' ' ' ILE . 11.9 mm-40 -125.38 129.38 49.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -91.46 131.4 36.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.892 HG12 ' O ' ' A' ' 29' ' ' GLN . 32.7 m -55.06 159.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -97.64 150.9 20.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -45.19 139.52 3.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.542 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.6 tp-100 -99.33 136.31 39.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -152.05 119.65 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.69 145.79 24.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -69.37 145.77 52.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.476 ' O ' HD11 ' A' ' 95' ' ' LEU . 24.5 mt-10 -40.86 149.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.69 31.02 67.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.6 179.19 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.2 m -121.88 102.97 8.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.542 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -59.28 159.6 7.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.56 HG22 ' HG2' ' A' ' 65' ' ' GLN . 18.3 t -142.78 110.45 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.583 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 9.9 mt -107.96 112.58 25.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.892 ' O ' HG12 ' A' ' 15' ' ' VAL . 81.8 mt-30 -111.56 139.81 46.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.49 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 8.1 p -144.29 172.3 13.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -135.35 149.63 49.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 mt -122.25 151.23 41.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.477 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.0 OUTLIER -65.64 -23.89 66.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.414 ' C ' HG22 ' A' ' 60' ' ' THR . 8.6 t -150.53 142.36 23.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.583 ' N ' HG22 ' A' ' 60' ' ' THR . . . -47.35 116.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.067 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.56 154.96 14.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.551 0.691 . . . . 0.0 111.122 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 177.18 5.88 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.0 m -154.97 -179.29 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 80' ' ' VAL . 26.5 tt0 -151.82 107.46 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.685 ' HB3' HD12 ' A' ' 47' ' ' LEU . 92.3 m95 -75.74 119.16 19.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.505 ' HE ' HG21 ' A' ' 80' ' ' VAL . 84.1 mtt-85 -108.38 175.91 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.472 ' HD2' ' CZ ' ' A' ' 77' ' ' TYR . 5.9 tttm -169.14 105.05 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.48 48.48 43.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 p 63.86 28.78 14.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.853 0.359 . . . . 0.0 110.906 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 46' ' ' THR . 3.5 pt-20 -121.23 175.78 5.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.46 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 24.4 m -124.2 111.51 15.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 40' ' ' TRP . 11.4 mt -75.06 165.61 24.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -150.24 149.13 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.59 ' CA ' HD13 ' A' ' 55' ' ' LEU . 34.8 t0 -75.42 139.0 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.16 -118.88 0.46 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -97.14 -65.25 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -65.7 -31.93 73.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.411 ' CE2' HG12 ' A' ' 66' ' ' ILE . 29.1 m-85 -99.91 162.37 13.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -154.82 105.46 2.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.59 HD13 ' CA ' ' A' ' 49' ' ' ASP . 6.5 mp -101.52 101.82 12.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -103.61 175.46 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -168.99 139.42 2.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -130.2 77.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.45 -87.09 1.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.583 HG22 ' N ' ' A' ' 35' ' ' ALA . 39.3 p -113.98 -22.73 9.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 111.131 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -85.68 148.62 25.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.5 m -126.83 170.12 12.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -159.76 128.18 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.639 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.4 tm? -128.24 119.42 25.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.639 ' N ' HD22 ' A' ' 64' ' ' LEU . 28.0 mt-30 -108.06 136.54 47.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.411 HG12 ' CE2' ' A' ' 53' ' ' TYR . 22.6 mt -118.43 94.05 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.9 mtt-85 -76.59 134.34 39.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.53 44.98 3.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.0 mt -64.66 147.8 52.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.8 171.74 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.1 mmt -53.95 -31.45 50.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.98 -41.32 67.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.26 -33.91 65.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.0 m -45.59 104.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.13 -153.54 7.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.532 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -123.21 126.03 46.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.611 ' CE1' HD23 ' A' ' 90' ' ' LEU . 3.9 m-85 -108.82 150.09 28.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -138.49 121.45 16.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.518 ' HB3' HG22 ' A' ' 86' ' ' THR . 5.1 t -88.52 100.49 13.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.505 HG21 ' HE ' ' A' ' 41' ' ' ARG . 1.8 t -89.16 136.14 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.594 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 30.8 p -120.95 27.24 8.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.53 -72.55 0.3 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -108.74 -43.92 4.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.736 0.303 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -101.56 168.55 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -167.55 155.62 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.518 HG22 ' HB3' ' A' ' 79' ' ' CYS . 8.1 t -106.85 -174.0 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.422 ' N ' ' OG1' ' A' ' 86' ' ' THR . 1.4 p -159.52 149.01 18.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.79 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -160.38 109.43 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 75.1 mmm -54.83 132.27 45.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.611 HD23 ' CE1' ' A' ' 77' ' ' TYR . 7.9 tp -111.88 113.29 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 63.6 m -102.43 127.47 49.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.0 t -106.41 88.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 93' ' ' ARG . 6.0 mmm180 -58.28 109.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.05 130.03 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.476 HD11 ' O ' ' A' ' 22' ' ' GLU . 27.2 mt -67.17 143.27 97.55 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.555 0.693 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 106.51 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.318 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.495 HG22 ' O ' ' A' ' 97' ' ' ILE . 12.6 mt -78.0 45.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -154.33 135.24 13.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -67.96 163.35 22.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.2 m -60.57 -43.01 97.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -89.92 -177.85 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.5 t 63.65 45.23 4.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -125.88 144.87 15.41 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 0.15 6.07 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 106' ' ' SER . 97.5 p -47.26 174.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 105' ' ' SER . 10.4 m -37.81 -60.43 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 m -124.99 144.83 50.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 t -47.8 105.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.3 -133.74 6.76 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.5 p -66.62 158.02 31.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.968 0.413 . . . . 0.0 110.822 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -119.33 -44.81 2.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.2 -114.6 3.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.419 ' CB ' ' HG3' ' A' ' 83' ' ' GLN . 53.8 Cg_endo -69.77 160.53 49.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.654 2.236 . . . . 0.0 112.354 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.28 146.1 29.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 7.1 ptt-85 -120.75 140.89 51.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 69.4 m-85 -73.52 93.13 1.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.612 HD11 ' HG2' ' A' ' 31' ' ' GLU . 43.7 pt -60.58 -30.8 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -121.9 132.92 54.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -101.55 127.97 48.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.905 HG12 ' O ' ' A' ' 29' ' ' GLN . 22.3 m -53.07 170.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -178.99 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -65.65 141.42 58.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.535 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 5.5 tp-100 -103.0 133.27 48.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -146.3 126.51 13.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.404 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -160.33 136.89 8.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -65.39 144.06 57.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.482 ' O ' HD11 ' A' ' 95' ' ' LEU . 19.2 mt-10 -40.21 149.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.62 22.86 77.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -118.34 -175.15 2.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.883 0.373 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.5 m -127.88 107.96 10.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.535 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -61.09 158.51 13.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.533 HG22 ' HG2' ' A' ' 65' ' ' GLN . 19.2 t -140.29 117.03 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.422 HD12 HD12 ' A' ' 64' ' ' LEU . 12.1 mt -116.07 119.17 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.905 ' O ' HG12 ' A' ' 15' ' ' VAL . 82.9 mt-30 -118.17 141.97 47.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 1.6 p -148.99 170.12 19.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.612 ' HG2' HD11 ' A' ' 12' ' ' ILE . 3.5 tp10 -126.23 159.72 32.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.6 mt -128.3 146.09 50.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.431 ' ND2' ' HG2' ' A' ' 10' ' ' ARG . 20.5 p-10 -64.29 -15.52 60.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.9 t -162.77 149.68 13.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.06 107.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.99 153.22 25.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 176.18 7.13 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.6 m -151.53 166.36 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.51 ' CG ' HG23 ' A' ' 46' ' ' THR . 11.5 tt0 -134.96 92.34 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.787 ' CD1' HD22 ' A' ' 55' ' ' LEU . 98.5 m95 -60.77 113.14 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.557 ' HE ' HG21 ' A' ' 80' ' ' VAL . 65.1 mtt-85 -101.9 -177.42 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 45' ' ' GLU . 28.2 tttt -169.69 137.48 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 34.56 39.93 0.17 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.509 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 t 73.99 42.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 110.831 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 42' ' ' LYS . 2.9 pt-20 -144.1 155.6 44.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.51 HG23 ' CG ' ' A' ' 39' ' ' GLU . 98.3 m -99.68 128.76 45.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.157 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.46 HD11 ' HB2' ' A' ' 42' ' ' LYS . 5.9 mt -103.35 169.01 8.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.401 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 17.4 mmm180 -148.96 146.34 27.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.18 135.78 57.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.12 -129.35 1.09 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -83.5 -55.14 4.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -76.56 -44.24 35.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -91.53 140.54 29.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.75 98.62 4.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.024 HD23 HD23 ' A' ' 64' ' ' LEU . 5.2 mt -98.12 122.48 41.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -128.18 125.27 38.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -126.02 142.35 51.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -134.7 64.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.87 -92.91 1.49 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.5 p -105.86 -20.61 13.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.427 ' HG2' ' CD ' ' A' ' 31' ' ' GLU . 4.2 mtpm? -84.74 148.92 26.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.0 m -138.28 148.51 44.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -143.73 143.4 31.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.827 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.024 HD23 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -144.3 115.68 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.786 ' N ' HD22 ' A' ' 64' ' ' LEU . 38.3 mt-30 -104.78 148.72 26.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.7 mt -123.84 98.9 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -80.71 122.06 26.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.55 50.95 0.88 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.52 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.404 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 72.3 mt -69.11 141.01 54.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.16 159.98 35.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.405 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 11.1 mmt -42.21 -32.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.82 -44.85 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.8 -29.08 53.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.8 m -51.21 107.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.82 -143.13 3.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.514 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -131.35 133.16 45.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.45 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 23.3 m-85 -115.24 140.76 48.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m -130.95 120.45 23.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.9 t -92.61 104.7 16.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.557 HG21 ' HE ' ' A' ' 41' ' ' ARG . 2.3 t -92.82 145.51 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 27.6 p -118.62 -36.83 3.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 175.15 -62.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.503 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.419 ' HG3' ' CB ' ' A' ' 8' ' ' PRO . 34.5 mm-40 -105.35 -37.77 6.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.917 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -120.41 169.31 10.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.543 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 16.9 ptt-85 -159.21 162.48 36.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.4 t -109.79 179.82 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.86 145.25 15.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.594 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -161.42 117.65 2.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.058 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.33 138.36 58.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 tp -112.32 110.68 21.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.0 m -94.3 126.53 39.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.405 ' O ' ' CE ' ' A' ' 71' ' ' MET . 84.2 t -105.52 90.94 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -63.83 106.33 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.36 142.89 5.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.482 HD11 ' O ' ' A' ' 22' ' ' GLU . 19.1 mt -80.7 143.27 54.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 104.22 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.383 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 66.9 mt -59.81 -62.95 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -54.2 144.5 19.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -101.84 179.48 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 100' ' ' THR . 13.3 m 40.95 41.16 1.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -128.68 161.41 29.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.9 t -159.34 123.8 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 123.21 143.35 6.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -35.14 13.33 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 34.0 t -89.27 135.96 33.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.5 p -168.45 126.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.931 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 p -125.39 167.36 15.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -123.79 168.76 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.38 107.34 0.2 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -40.47 132.46 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -85.45 109.81 18.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.12 -154.61 18.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 158.85 55.49 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.339 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.666 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . . . -84.19 146.97 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.494 ' CB ' ' OE2' ' A' ' 84' ' ' GLU . 17.1 ptt180 -118.29 132.62 56.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 70.9 m-85 -68.85 97.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.493 HD11 ' HG2' ' A' ' 31' ' ' GLU . 47.4 pt -66.64 -31.32 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -129.98 130.1 44.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -92.12 138.8 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.922 HG23 ' HB2' ' A' ' 88' ' ' ALA . 25.6 m -56.19 157.62 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -95.77 154.05 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -46.68 143.55 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.522 ' CG ' HD13 ' A' ' 90' ' ' LEU . 6.5 tp-100 -105.08 142.48 34.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -159.34 136.05 9.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.06 151.45 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -72.03 144.5 48.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.439 ' HG3' HG12 ' A' ' 92' ' ' VAL . 24.6 mt-10 -43.52 141.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.05 29.88 40.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.37 178.42 4.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 111.091 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.2 m -116.65 108.76 16.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.61 164.31 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.0 t -149.92 113.85 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.0 mt -114.07 117.1 30.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.825 ' O ' HG12 ' A' ' 15' ' ' VAL . 75.9 mt-30 -116.13 143.56 45.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.0 p -145.39 169.32 18.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.493 ' HG2' HD11 ' A' ' 12' ' ' ILE . 31.6 tt0 -132.72 142.64 49.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.411 HD21 ' CE1' ' A' ' 11' ' ' PHE . 9.4 mt -116.78 147.97 41.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.489 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -61.78 -22.58 65.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 35' ' ' ALA . 4.6 t -160.13 141.25 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.503 ' N ' HG22 ' A' ' 60' ' ' THR . . . -33.29 122.3 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 9' ' ' ALA . . . -165.88 149.88 7.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.603 0.716 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 177.0 6.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.326 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.8 m -155.51 158.61 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.662 ' CG ' HG23 ' A' ' 46' ' ' THR . 29.9 tt0 -133.46 84.03 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 96.5 m95 -53.7 117.7 3.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 45' ' ' GLU . 75.1 mtt180 -103.12 -178.06 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.589 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 8.4 tmtt? -164.48 128.22 2.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.42 45.68 0.98 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.5 t 71.93 50.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 41' ' ' ARG . 2.4 pt-20 -156.78 149.09 23.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.662 HG23 ' CG ' ' A' ' 39' ' ' GLU . 99.4 m -90.8 133.32 35.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.5 mt -98.44 170.77 8.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -150.26 147.45 27.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.514 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -75.98 115.42 15.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.4 -127.74 2.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.88 -51.91 6.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -80.02 -42.12 24.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -85.1 160.28 20.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -153.32 105.06 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HG ' HD23 ' A' ' 64' ' ' LEU . 6.7 mp -103.78 100.82 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 -102.83 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -171.65 137.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -128.79 75.34 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.0 -89.49 1.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.503 HG22 ' N ' ' A' ' 35' ' ' ALA . 62.5 p -110.04 -23.91 11.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 111.133 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -85.32 147.12 26.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.948 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 76.2 m -125.43 171.32 10.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -158.4 137.63 11.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.613 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.4 tm? -138.42 117.7 12.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.613 ' N ' HD22 ' A' ' 64' ' ' LEU . 20.6 mt-30 -107.91 139.47 42.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.1 mt -121.02 117.39 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -93.21 135.47 34.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.84 50.96 2.95 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.1 mt -66.69 107.06 2.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -124.6 164.96 18.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.481 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 10.5 mmt -45.37 -30.64 1.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.94 -44.2 73.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.53 -33.58 55.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.0 m -48.85 117.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -174.81 -134.29 1.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -140.8 116.39 10.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.589 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 18.8 m-85 -99.99 141.31 32.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -133.88 125.13 27.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.4 t -94.59 100.15 12.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.516 HG13 ' HE ' ' A' ' 85' ' ' ARG . 2.5 t -91.7 135.43 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.666 ' SG ' ' HB3' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -108.03 -46.01 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.12 -65.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -104.88 -40.5 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' OE2' ' CB ' ' A' ' 10' ' ' ARG . 6.0 pt-20 -117.75 169.91 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -160.78 169.0 23.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.1 t -118.43 -178.09 3.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.9 p -159.37 152.35 21.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.922 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -155.13 105.05 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.064 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 77.1 mmm -50.48 129.31 21.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.566 HD23 ' CE1' ' A' ' 77' ' ' TYR . 14.0 tp -108.17 119.5 39.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.7 m -107.2 119.7 40.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.481 ' O ' ' CE ' ' A' ' 71' ' ' MET . 85.8 t -102.42 88.12 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -59.77 107.78 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.02 142.94 28.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 72.8 mt -73.4 147.83 87.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.587 0.708 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 105.01 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.653 2.235 . . . . 0.0 112.386 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.2 mt -60.01 -48.68 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -152.24 127.03 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.436 ' O ' ' C ' ' A' ' 100' ' ' THR . 14.5 p90 -90.37 78.5 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 99' ' ' PHE . 12.5 t 34.04 37.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 99' ' ' PHE . 21.8 tt0 -63.9 -45.72 88.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.6 p -119.98 129.83 54.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -176.25 -95.54 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.54 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -179.59 3.03 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.622 2.214 . . . . 0.0 112.358 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.5 t -141.22 160.77 39.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.7 m -71.68 126.63 30.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.807 0.337 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.416 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 23.9 ptt180 -117.25 139.21 51.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 72.6 m-85 -68.52 96.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.579 HD11 ' HG2' ' A' ' 31' ' ' GLU . 35.4 pt -65.21 -31.35 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 12' ' ' ILE . 22.2 mt-10 -126.47 119.78 28.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.33 129.25 34.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.921 HG23 ' HB2' ' A' ' 88' ' ' ALA . 31.3 m -48.16 162.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -103.66 151.28 23.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -39.43 148.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -111.23 131.2 55.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -144.84 124.74 13.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.408 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -159.98 137.45 9.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -64.91 147.46 53.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -41.35 152.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.4 28.69 73.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.542 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.6 -174.96 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.0 m -126.6 102.62 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.59 164.33 9.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.433 HG22 ' HG2' ' A' ' 65' ' ' GLN . 48.8 t -148.91 108.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.66 HD12 HD12 ' A' ' 64' ' ' LEU . 10.4 mt -107.8 112.41 25.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.878 ' O ' HG12 ' A' ' 15' ' ' VAL . 86.5 mt-30 -116.38 147.08 41.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.404 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 1.4 p -148.11 179.91 7.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.579 ' HG2' HD11 ' A' ' 12' ' ' ILE . 25.5 tt0 -139.23 148.22 42.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 mt -122.73 151.78 41.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.416 ' ND2' ' HG2' ' A' ' 10' ' ' ARG . 44.9 p-10 -67.33 -21.51 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -153.08 149.29 27.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.37 113.49 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -158.36 150.64 17.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.587 0.708 . . . . 0.0 111.095 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 176.74 6.36 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.0 m -150.38 165.94 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.536 ' CG ' HG23 ' A' ' 46' ' ' THR . 34.8 tt0 -134.83 88.16 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.875 ' CD1' HD22 ' A' ' 55' ' ' LEU . 99.3 m95 -57.47 116.52 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.573 ' HE ' HG21 ' A' ' 80' ' ' VAL . 48.0 mtt-85 -103.24 -177.41 3.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.606 ' HB2' HD11 ' A' ' 47' ' ' LEU . 13.5 tmtt? -168.16 132.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.26 44.24 0.25 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.493 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.3 m 71.59 49.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -155.07 145.09 21.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.536 HG23 ' CG ' ' A' ' 39' ' ' GLU . 96.2 m -88.52 130.65 35.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 42' ' ' LYS . 11.0 mt -103.46 164.7 11.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -145.36 144.15 30.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.05 130.43 46.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.76 -125.07 0.77 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -89.46 -50.85 5.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -80.86 -40.31 25.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -95.98 140.05 31.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.01 99.95 4.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.045 HD23 HD23 ' A' ' 64' ' ' LEU . 5.3 mt -97.0 120.4 37.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -129.42 129.41 44.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 35.0 tt0 -121.98 144.29 48.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -132.01 75.19 1.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.53 -90.01 1.61 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.1 p -109.75 -22.82 11.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 111.126 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -86.46 152.08 22.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 79.9 m -128.98 172.45 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -160.83 147.3 15.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.045 HD23 HD23 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -150.41 121.05 7.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.847 ' N ' HD22 ' A' ' 64' ' ' LEU . 20.9 mt-30 -108.04 145.85 33.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.1 mt -123.93 96.74 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -80.6 126.59 31.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.73 41.93 2.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.408 HD13 ' HB3' ' A' ' 20' ' ' ALA . 53.9 mt -61.51 123.03 16.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.98 169.44 17.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 7.6 mmt -49.75 -46.05 50.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.63 84.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.14 -34.72 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.434 HG23 ' HA ' ' A' ' 91' ' ' THR . 38.5 m -46.34 100.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.499 ' O ' ' CE ' ' A' ' 89' ' ' MET . . . -158.13 -154.27 7.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -117.93 124.83 49.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.368 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.76 ' CE1' HD23 ' A' ' 90' ' ' LEU . 17.9 m-85 -108.39 139.54 42.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -133.29 130.04 38.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.521 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 6.0 t -101.02 105.34 16.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.573 HG21 ' HE ' ' A' ' 41' ' ' ARG . 1.6 t -96.37 139.46 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 1.7 p -131.04 17.12 5.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.99 -100.86 0.2 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -98.06 -33.21 11.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.559 ' OE2' ' CD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -105.12 167.44 9.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.57 ' HB3' HG13 ' A' ' 80' ' ' VAL . 8.2 ptt180 -163.72 159.97 22.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.402 ' OG1' ' N ' ' A' ' 87' ' ' SER . 5.7 t -106.55 179.62 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.402 ' N ' ' OG1' ' A' ' 86' ' ' THR . 0.9 OUTLIER -158.27 139.53 13.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.838 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.921 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -148.37 108.28 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -53.75 128.2 28.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.76 HD23 ' CE1' ' A' ' 77' ' ' TYR . 10.2 tp -109.37 108.95 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.434 ' HA ' HG23 ' A' ' 74' ' ' THR . 40.3 m -100.58 125.55 46.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.495 ' O ' ' CE ' ' A' ' 71' ' ' MET . 87.5 t -101.98 91.22 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.8 mmm-85 -64.36 104.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.67 131.1 25.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.931 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.781 0.324 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -115.77 145.44 42.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 96.6 m-85 -71.03 104.22 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 pt -72.22 -27.69 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -127.8 116.34 20.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.43 128.94 34.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.84 HG12 ' O ' ' A' ' 29' ' ' GLN . 30.7 m -47.91 163.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -103.18 148.51 25.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -40.42 147.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.476 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.6 tp-100 -108.18 149.1 28.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -158.32 132.03 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -172.17 137.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -65.45 150.48 48.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HG3' HG12 ' A' ' 92' ' ' VAL . 13.6 mt-10 -44.9 148.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.55 24.19 75.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.12 -175.43 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.8 m -126.1 105.09 8.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -66.06 160.35 24.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.492 HG22 ' HG2' ' A' ' 65' ' ' GLN . 17.6 t -143.87 116.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.467 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.1 mt -115.26 117.24 29.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.84 ' O ' HG12 ' A' ' 15' ' ' VAL . 78.9 mt-30 -117.11 142.25 47.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.45 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 1.8 p -142.35 -175.17 4.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -146.89 154.55 41.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mt -131.86 151.81 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.436 ' C ' ' OD1' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -66.67 -24.69 66.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -150.23 145.17 26.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.06 118.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.472 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -161.4 149.61 12.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.553 0.692 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 177.16 5.88 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.4 m -152.09 163.02 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.667 ' CG ' HG23 ' A' ' 46' ' ' THR . 31.9 tt0 -133.53 85.79 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 97.7 m95 -57.33 116.93 3.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.5 ' NE ' HG21 ' A' ' 80' ' ' VAL . 59.7 mtt180 -103.78 -176.88 3.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.586 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 11.4 tmtt? -165.81 129.66 2.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.16 41.48 0.49 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t 75.04 48.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.332 . . . . 0.0 110.814 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -155.03 135.13 13.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.667 HG23 ' CG ' ' A' ' 39' ' ' GLU . 80.2 m -79.31 131.13 36.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.2 mt -99.62 166.72 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -145.13 154.21 42.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.563 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -75.28 135.39 40.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.87 -137.05 2.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -76.76 -58.66 3.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.9 mtt85 -71.59 -45.1 63.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -90.81 157.4 17.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -151.56 106.52 3.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.563 HD13 ' CA ' ' A' ' 49' ' ' ASP . 6.8 mp -99.6 101.68 12.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -108.41 116.49 32.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 36.7 tt0 -115.71 140.18 49.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -128.74 76.33 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.0 -88.8 1.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 39.2 p -109.8 -25.45 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 111.14 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -84.05 144.19 29.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 55.8 m -125.71 159.33 32.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -148.33 134.56 19.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.8 tm? -131.86 117.55 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.539 ' N ' HD22 ' A' ' 64' ' ' LEU . 33.1 mt-30 -110.6 133.72 53.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.7 mt -115.53 100.47 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -84.18 124.36 31.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.83 44.37 2.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.3 mt -57.47 152.57 14.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -160.66 165.28 30.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.437 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 13.1 mmt -47.96 -50.72 26.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.4 -43.83 68.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.73 -27.82 43.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.4 m -55.37 108.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.03 -131.71 1.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -136.65 135.05 37.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.378 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.632 ' CE1' HD23 ' A' ' 90' ' ' LEU . 26.3 m-85 -114.79 138.2 51.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -128.93 123.92 33.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.409 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 3.2 t -96.53 100.12 11.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.5 HG21 ' NE ' ' A' ' 41' ' ' ARG . 2.4 t -88.11 140.21 16.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 24.3 p -112.53 -36.39 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 173.11 -58.67 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -106.17 -36.14 6.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -129.05 170.94 12.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.548 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -156.93 171.12 21.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 87' ' ' SER . 5.4 t -114.31 -178.4 3.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.429 ' N ' ' OG1' ' A' ' 86' ' ' THR . 1.3 p -156.43 141.6 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.821 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -153.06 119.45 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 80.1 mmm -65.95 137.03 56.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.632 HD23 ' CE1' ' A' ' 77' ' ' TYR . 10.3 tp -117.76 116.28 26.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 77.8 m -102.31 126.37 49.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.449 HG12 ' HG3' ' A' ' 22' ' ' GLU . 96.6 t -105.31 94.85 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -64.88 102.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.93 140.86 3.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.3 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.898 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.761 0.315 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.46 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 8.6 ptp180 -112.95 137.31 51.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.579 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 76.6 m-85 -66.15 99.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.615 HD11 ' HG2' ' A' ' 31' ' ' GLU . 45.2 pt -65.63 -32.53 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.442 ' N ' HG13 ' A' ' 12' ' ' ILE . 4.5 mm-40 -124.94 133.64 52.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.08 127.85 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.884 HG12 ' O ' ' A' ' 29' ' ' GLN . 23.7 m -47.68 159.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -94.62 155.25 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -52.89 123.77 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -79.65 134.63 36.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -150.88 116.17 5.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.3 140.32 19.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -65.55 149.23 50.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -45.72 145.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.18 31.86 61.02 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -123.5 -175.9 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.361 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.2 m -123.07 108.57 13.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.471 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -71.83 157.14 38.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.59 HG22 ' HG2' ' A' ' 65' ' ' GLN . 58.5 t -139.78 110.11 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 6.7 mt -107.05 108.73 20.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.884 ' O ' HG12 ' A' ' 15' ' ' VAL . 84.1 mt-30 -113.33 146.1 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 p -145.26 -178.44 6.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.615 ' HG2' HD11 ' A' ' 12' ' ' ILE . 19.3 tt0 -140.64 156.31 46.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.4 mt -129.57 154.28 47.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.46 ' ND2' ' HG2' ' A' ' 10' ' ' ARG . 39.3 p-10 -71.37 -19.3 62.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.8 t -153.03 143.17 22.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.01 112.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -162.18 150.72 12.49 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.549 0.69 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 174.85 8.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.435 HG12 ' HB3' ' A' ' 81' ' ' CYS . 33.3 m -155.17 177.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.493 ' HG2' HG23 ' A' ' 46' ' ' THR . 2.7 tp10 -141.5 125.45 17.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.707 ' CD1' HD22 ' A' ' 55' ' ' LEU . 91.7 m95 -90.58 110.72 21.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.421 ' NE ' HG21 ' A' ' 80' ' ' VAL . 52.0 mtt180 -97.35 -174.99 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 43' ' ' GLY . 34.1 tttt -167.3 130.4 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 34.33 43.64 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m 73.88 49.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.867 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 42' ' ' LYS . 2.9 pt-20 -155.08 132.53 11.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.493 HG23 ' HG2' ' A' ' 39' ' ' GLU . 93.8 m -81.76 130.6 35.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' A' ' 42' ' ' LYS . 9.8 mt -102.22 174.28 5.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -149.19 151.1 33.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.57 136.76 53.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -168.59 -129.79 1.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -83.0 -58.14 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -71.73 -44.67 63.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -93.99 140.26 29.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -134.42 98.38 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.853 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.943 HD23 HD23 ' A' ' 64' ' ' LEU . 7.1 mt -91.05 118.54 30.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 54' ' ' SER . 0.9 OUTLIER -122.99 129.31 51.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -123.55 142.27 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -133.82 75.28 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.12 -89.63 1.62 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.445 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.5 p -110.67 -24.4 10.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 0.0 111.099 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -85.91 145.05 27.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.7 m -121.87 173.7 7.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 64' ' ' LEU . 45.6 tt0 -158.31 154.36 26.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.943 HD23 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -157.33 110.18 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.632 ' N ' HD22 ' A' ' 64' ' ' LEU . 35.7 mt-30 -98.45 150.91 21.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 26.2 mt -126.81 100.92 6.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -84.35 123.53 30.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.99 47.72 1.32 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.527 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.2 mt -66.25 143.33 57.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -160.35 157.44 27.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 13.4 mmt -38.8 -39.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.77 -45.64 85.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' ALA . 0.7 OUTLIER -52.09 -34.43 43.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.9 m -47.42 107.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.48 -136.65 2.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -135.38 129.52 33.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.876 0.37 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.425 ' CE1' HD23 ' A' ' 90' ' ' LEU . 17.9 m-85 -113.61 137.94 50.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 m -131.51 125.1 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.4 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 t -96.61 102.08 13.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.421 HG21 ' NE ' ' A' ' 41' ' ' ARG . 2.7 t -90.72 133.53 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.579 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 23.1 p -107.71 -18.97 13.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.02 -68.89 0.31 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -94.87 -41.48 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 110.921 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -121.08 168.23 11.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.536 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 3.6 ptt85 -157.23 164.02 38.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.6 t -115.78 -175.63 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 p -159.39 147.17 17.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.874 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -153.02 109.84 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 72.0 mmm -61.16 114.65 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.488 HD13 ' HB3' ' A' ' 18' ' ' GLN . 6.0 tp -92.72 114.87 27.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.2 m -104.06 127.38 51.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.495 ' O ' ' CE ' ' A' ' 71' ' ' MET . 98.6 t -105.58 103.47 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -73.38 105.94 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -43.09 141.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.634 0.731 . . . . 0.0 110.92 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.793 0.33 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -128.93 132.85 47.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.602 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 92.5 m-85 -64.89 100.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 13' ' ' GLU . 44.6 pt -66.96 -33.06 60.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.457 ' N ' HG13 ' A' ' 12' ' ' ILE . 8.6 mm-40 -126.18 121.87 34.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -84.74 137.07 33.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.878 HG12 ' O ' ' A' ' 29' ' ' GLN . 12.0 m -58.39 156.2 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' ASN . 23.1 mmtp -97.0 147.43 24.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER -35.66 149.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.48 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.6 tp-100 -111.65 117.15 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.18 134.64 50.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -174.42 151.19 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.716 ' HD2' HD23 ' A' ' 95' ' ' LEU . 14.7 mtm180 -71.81 173.15 8.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.455 ' O ' HD11 ' A' ' 95' ' ' LEU . 12.9 mt-10 -67.12 159.65 28.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.55 16.66 51.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.503 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -103.17 -175.1 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 111.117 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.7 m -125.79 106.75 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.48 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -70.34 158.26 36.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.59 HG22 ' HG2' ' A' ' 65' ' ' GLN . 21.4 t -140.97 116.32 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 mt -115.49 109.28 17.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.878 ' O ' HG12 ' A' ' 15' ' ' VAL . 75.2 mt-30 -109.73 145.92 35.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.482 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 2.6 p -144.65 -177.46 5.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -143.56 159.04 43.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 mt -131.0 155.32 47.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -20.14 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -151.02 144.36 24.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.46 112.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -162.17 152.88 14.61 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.58 0.705 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 173.98 10.21 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.324 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.2 m -153.17 179.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.469 ' CD ' ' N ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -146.21 125.53 13.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.781 ' CD1' HD22 ' A' ' 55' ' ' LEU . 89.0 m95 -91.9 112.09 23.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.433 ' HD2' ' CG2' ' A' ' 80' ' ' VAL . 47.7 mtt180 -100.08 -175.69 3.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.519 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 19.9 tttt -170.55 119.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 45.46 43.8 10.74 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.471 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.2 t 71.57 45.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.887 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -148.02 133.48 18.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.402 HG23 ' CD ' ' A' ' 39' ' ' GLU . 86.8 m -86.19 123.73 31.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.4 ' C ' ' HG2' ' A' ' 48' ' ' ARG . 6.1 mt -97.49 169.41 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.4 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 13.9 mmm180 -147.24 147.91 30.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.9 135.64 57.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -168.21 -128.85 1.03 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -83.59 -56.56 3.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.747 0.308 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -74.98 -44.82 46.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -91.29 139.75 30.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.95 97.93 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.03 HD23 HD23 ' A' ' 64' ' ' LEU . 5.7 mt -94.76 123.96 38.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -130.33 122.23 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.411 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 45.0 tt0 -115.4 139.81 49.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -130.14 74.03 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.09 -90.58 1.65 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.2 p -110.44 -21.59 12.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 111.163 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -86.79 154.17 21.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 38.3 m -133.92 168.64 18.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -160.95 136.65 8.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.03 HD23 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -136.41 115.26 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.727 ' N ' HD22 ' A' ' 64' ' ' LEU . 43.9 mt-30 -101.43 141.82 33.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.0 mt -117.57 100.08 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -85.53 120.9 27.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.27 47.8 1.04 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 24' ' ' ALA . 37.2 mt -63.16 151.6 39.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.346 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -162.21 145.73 11.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.734 ' SD ' ' HB2' ' A' ' 94' ' ' ALA . 60.2 mmm -38.73 -31.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.28 -41.54 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' ALA . 75.0 m-20 -54.76 -22.59 14.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.3 m -53.2 104.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.54 -135.34 1.9 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -139.13 131.47 28.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.704 ' CE1' HD23 ' A' ' 90' ' ' LEU . 12.2 m-85 -114.86 144.21 43.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -135.54 129.19 32.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.852 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.602 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 1.9 t -98.72 101.3 12.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.477 HG12 ' H ' ' A' ' 82' ' ' GLY . 2.1 t -88.06 147.95 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 10.6 p -133.16 15.21 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.477 ' H ' HG12 ' A' ' 80' ' ' VAL . . . 132.81 -82.01 0.31 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -99.87 -45.39 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.317 . . . . 0.0 110.933 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -100.68 166.66 10.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.578 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 9.5 ptt180 -164.04 153.82 14.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.809 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.9 t -106.61 177.77 4.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 p -158.94 147.11 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.815 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -156.53 109.68 2.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.069 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 77.3 mmm -50.73 140.8 14.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.704 HD23 ' CE1' ' A' ' 77' ' ' TYR . 12.3 tp -119.2 109.17 15.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.8 m -98.61 127.54 44.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.6 t -108.83 105.97 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -77.9 111.51 13.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.734 ' HB2' ' SD ' ' A' ' 71' ' ' MET . . . -50.64 138.86 17.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.075 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.716 HD23 ' HD2' ' A' ' 21' ' ' ARG . 22.3 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.561 0.696 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.817 0.341 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -104.26 159.48 15.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.569 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 82.5 m-85 -83.24 99.6 10.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 13' ' ' GLU . 44.1 pt -67.51 -32.07 55.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.147 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 12' ' ' ILE . 25.0 mt-10 -121.44 129.56 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.18 131.94 37.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.996 HG12 ' O ' ' A' ' 29' ' ' GLN . 32.8 m -55.83 161.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -102.27 148.37 25.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.51 146.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.518 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.9 tp-100 -108.65 143.39 37.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -159.3 125.92 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.7 145.56 17.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -67.19 149.78 49.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -45.5 152.26 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.48 29.15 72.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.439 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.15 -179.16 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.9 m -123.61 108.31 12.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.518 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -64.41 163.63 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.035 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.642 HG22 ' HG2' ' A' ' 65' ' ' GLN . 98.3 t -144.98 115.67 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.584 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 9.5 mt -114.7 113.83 24.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.996 ' O ' HG12 ' A' ' 15' ' ' VAL . 78.6 mt-30 -113.92 143.73 44.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.467 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 8.1 p -145.01 -178.97 6.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -139.54 154.87 47.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.0 mt -129.88 150.99 50.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -63.17 -24.89 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 t -154.28 140.99 19.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.583 ' N ' HG22 ' A' ' 60' ' ' THR . . . -38.75 118.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.483 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -163.12 151.23 11.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.603 0.716 . . . . 0.0 111.071 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 178.68 4.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.3 m -154.44 163.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.663 ' CG ' HG23 ' A' ' 46' ' ' THR . 30.0 tt0 -134.84 90.18 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.584 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 95.5 m95 -61.06 112.34 2.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -101.55 -178.07 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.543 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 5.4 tttm -167.63 133.07 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 32.36 52.55 0.42 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.2 m 63.65 51.43 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -156.15 135.45 12.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.663 HG23 ' CG ' ' A' ' 39' ' ' GLU . 99.2 m -85.19 131.83 34.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 mt -99.81 162.83 12.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -142.01 153.03 43.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.47 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -72.42 141.18 48.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.46 -142.48 3.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -75.42 -52.24 11.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -78.2 -42.3 31.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -94.39 156.94 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -149.65 105.0 3.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.47 HD13 ' N ' ' A' ' 49' ' ' ASP . 7.5 mp -102.17 98.19 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -98.83 176.79 5.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 40.0 tt0 -171.31 140.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -131.04 77.12 1.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.32 -91.65 1.71 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.583 HG22 ' N ' ' A' ' 35' ' ' ALA . 28.3 p -108.13 -24.57 11.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.821 0.343 . . . . 0.0 111.162 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -83.6 155.24 23.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 50.8 m -129.2 175.42 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -162.06 137.26 7.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.621 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.5 tm? -137.67 119.4 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.642 ' HG2' HG22 ' A' ' 27' ' ' VAL . 33.2 mt-30 -110.87 138.88 46.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.6 mt -118.95 96.12 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -78.91 126.57 30.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.56 48.36 1.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.531 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 mt -64.99 148.19 52.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.8 161.47 26.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.6 mmt -42.05 -39.64 2.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.39 -45.86 82.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -34.01 46.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.7 m -48.83 105.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.07 -146.23 4.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -126.99 130.57 50.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.543 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 21.2 m-85 -113.89 140.69 48.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.7 m -131.9 117.3 18.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.1 t -86.95 104.79 16.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.413 ' HA ' ' CB ' ' A' ' 85' ' ' ARG . 2.6 t -95.38 129.67 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.569 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 21.1 p -101.99 -23.86 14.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 160.31 -65.87 0.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.448 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -97.88 -40.19 8.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 110.935 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.422 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 1.2 pm0 -123.71 171.91 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.567 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -160.41 168.76 24.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.2 t -116.59 -175.36 2.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.0 p -159.44 148.39 18.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.659 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -158.97 110.57 2.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 72.4 mmm -57.04 133.89 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.43 HD23 ' CE1' ' A' ' 77' ' ' TYR . 9.6 tp -114.31 117.35 30.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.0 m -103.87 128.03 51.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.7 t -105.64 89.98 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -60.52 110.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.42 127.44 32.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.9 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.635 0.731 . . . . 0.0 110.924 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.819 0.342 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.534 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 20.1 ptt180 -113.28 146.51 39.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.58 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 86.4 m-85 -76.92 93.52 3.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 33' ' ' ASN . 42.4 pt -64.91 -31.14 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.425 ' N ' HG13 ' A' ' 12' ' ' ILE . 26.5 mt-10 -124.73 120.99 33.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.64 132.69 34.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.87 HG23 ' HB2' ' A' ' 88' ' ' ALA . 24.9 m -51.31 160.02 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -98.07 148.22 23.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -43.62 139.49 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.562 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.8 tp-100 -99.16 144.61 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -157.74 130.18 7.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.31 137.98 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 ptt-85 -62.16 152.17 33.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.07 152.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.56 28.3 73.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.76 -174.9 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.0 m -127.03 107.47 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.562 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -71.9 157.07 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.628 HG22 ' HG2' ' A' ' 65' ' ' GLN . 31.6 t -140.26 117.62 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.586 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.2 mt -113.64 118.93 35.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.753 ' O ' HG12 ' A' ' 15' ' ' VAL . 77.5 mt-30 -119.86 140.99 49.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 3.7 p -142.22 -179.06 6.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -143.47 159.46 42.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.425 HD21 ' CE1' ' A' ' 11' ' ' PHE . 8.3 mt -134.1 146.3 50.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.534 ' ND2' ' H ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -67.51 -15.12 63.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.3 p -149.42 137.91 20.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.483 ' N ' HG22 ' A' ' 60' ' ' THR . . . -51.74 113.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -161.76 153.77 16.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.649 0.738 . . . . 0.0 111.095 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 53.7 Cg_endo -69.71 174.16 9.88 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.442 HG12 ' HB3' ' A' ' 81' ' ' CYS . 32.3 m -157.36 176.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -142.71 128.57 19.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.586 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 95.3 m95 -92.52 111.12 22.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.782 ' CZ ' HG21 ' A' ' 80' ' ' VAL . 56.9 mtt180 -97.8 -179.64 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.586 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 6.2 tmtt? -162.62 135.09 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 34.35 40.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.5 t 74.95 47.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.353 . . . . 0.0 110.835 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 42' ' ' LYS . 2.8 pt-20 -150.61 149.97 30.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.9 m -92.28 124.22 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.9 mt -91.26 165.67 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -141.64 145.68 35.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.462 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -69.63 136.6 51.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.13 -142.5 3.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -72.83 -56.17 5.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -74.1 -45.4 49.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -92.89 154.3 18.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.9 m -147.97 105.02 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.462 HD13 ' CA ' ' A' ' 49' ' ' ASP . 7.6 mp -99.81 103.63 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.8 mtp-105 -108.2 171.9 7.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -172.34 143.91 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -134.65 82.01 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.6 -91.43 1.56 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.483 HG22 ' N ' ' A' ' 35' ' ' ALA . 20.2 p -108.86 -24.33 11.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 111.115 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -81.91 152.65 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.6 m -129.79 170.47 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -159.83 137.17 9.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.755 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.2 tm? -142.8 123.56 14.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.755 ' N ' HD22 ' A' ' 64' ' ' LEU . 24.9 mt-30 -114.11 151.76 32.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.4 mt -128.76 92.8 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 -77.47 126.55 31.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.64 42.69 2.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.8 mt -58.7 149.01 27.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.945 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.549 ' HB3' ' OD1' ' A' ' 73' ' ' ASP . . . -161.66 159.45 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.6 mmt -39.67 -50.27 2.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.96 -48.04 70.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.549 ' OD1' ' HB3' ' A' ' 70' ' ' ALA . 0.6 OUTLIER -47.44 -38.65 13.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.0 m -46.15 107.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.7 -125.0 0.74 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -145.43 131.01 18.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.634 ' CE1' HD23 ' A' ' 90' ' ' LEU . 38.4 m-85 -115.97 136.32 53.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 86' ' ' THR . 3.5 m -129.97 127.78 40.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.6 t -99.57 103.27 14.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.782 HG21 ' CZ ' ' A' ' 41' ' ' ARG . 2.1 t -87.57 151.76 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.58 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 25.1 p -127.15 -40.38 1.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -177.48 -69.45 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -102.89 -37.74 7.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -119.4 162.55 18.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 20.7 ptt-85 -149.77 162.17 40.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.43 HG21 HG13 ' A' ' 15' ' ' VAL . 6.0 t -112.2 167.54 10.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 p -146.34 151.2 37.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.87 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -159.2 111.45 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 81.0 mmm -58.83 134.79 57.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.634 HD23 ' CE1' ' A' ' 77' ' ' TYR . 10.9 tp -114.52 117.59 31.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.5 m -104.82 125.19 50.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.2 t -104.24 93.01 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -62.81 107.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.16 135.44 25.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.8 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 121.549 0.69 . . . . 0.0 110.916 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.816 0.341 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.5 ptt85 -117.99 139.02 51.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 75.9 m-85 -65.45 105.24 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.442 ' CG2' ' HB3' ' A' ' 33' ' ' ASN . 35.8 pt -71.05 -31.72 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.439 ' N ' HG13 ' A' ' 12' ' ' ILE . 25.7 mm-40 -129.5 128.7 43.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.64 133.39 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.951 HG23 ' HB2' ' A' ' 88' ' ' ALA . 31.0 m -54.69 162.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -99.45 149.24 23.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -45.83 134.04 8.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.569 ' HB3' HD13 ' A' ' 90' ' ' LEU . 5.5 tp-100 -90.31 138.07 31.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -151.38 130.67 12.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.468 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -166.8 154.47 9.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -76.51 146.96 38.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.421 ' HG3' HG12 ' A' ' 92' ' ' VAL . 23.6 mt-10 -44.58 139.85 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.71 30.55 35.56 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.455 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -119.83 -175.27 2.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.823 0.344 . . . . 0.0 111.135 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.2 m -123.9 100.21 6.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.537 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -56.55 156.32 6.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.542 HG22 ' HG2' ' A' ' 65' ' ' GLN . 81.7 t -144.93 108.46 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.0 mt -108.4 115.17 29.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.907 ' O ' HG12 ' A' ' 15' ' ' VAL . 69.1 mt-30 -113.44 145.0 41.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.433 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 6.1 p -146.12 -177.23 5.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.408 ' HG2' HD11 ' A' ' 12' ' ' ILE . 18.5 tt0 -145.82 149.26 33.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mt -121.99 154.99 36.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.442 ' HB3' ' CG2' ' A' ' 12' ' ' ILE . 27.1 p-10 -69.47 -22.31 63.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.432 ' C ' HG22 ' A' ' 60' ' ' THR . 7.8 t -151.98 150.67 30.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.36 114.89 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.71 151.39 10.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 172.01 13.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.8 m -151.85 173.98 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.482 ' CD ' ' N ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -141.4 126.15 18.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.539 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 95.9 m95 -93.89 110.51 22.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.455 ' HE ' HG21 ' A' ' 80' ' ' VAL . 29.2 mtt-85 -100.75 -175.83 3.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.503 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 7.3 tttm -169.63 128.17 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 40.21 49.25 3.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m 64.65 52.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -157.25 139.05 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -87.39 127.57 35.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 mt -93.73 162.72 13.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -137.89 143.83 41.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.46 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -67.74 128.1 35.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.86 -143.15 3.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -72.55 -50.76 23.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -80.12 -40.52 27.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -96.03 147.89 23.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -141.76 105.02 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.46 HD13 ' CA ' ' A' ' 49' ' ' ASP . 7.5 mp -101.92 100.6 10.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -105.09 175.63 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -169.29 142.68 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -131.69 75.9 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.61 -88.02 1.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.432 HG22 ' C ' ' A' ' 34' ' ' SER . 6.6 p -111.32 -24.98 9.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.145 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -83.93 148.97 26.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.9 m -124.29 172.19 9.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -162.83 130.35 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.637 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.4 tm? -131.59 118.51 20.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.637 ' N ' HD22 ' A' ' 64' ' ' LEU . 21.1 mt-30 -106.73 140.41 39.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.2 mt -122.37 106.95 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -83.33 138.21 33.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.21 46.6 4.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.537 HD21 ' HB2' ' A' ' 26' ' ' ALA . 42.4 mt -64.19 105.2 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -123.46 171.92 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.112 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.479 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 10.4 mmt -53.53 -33.04 53.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.14 -42.4 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -31.52 69.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.9 m -49.08 102.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.501 ' O ' ' CE ' ' A' ' 89' ' ' MET . . . -159.8 -157.14 8.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -115.54 124.02 49.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.503 ' CZ ' ' HG3' ' A' ' 42' ' ' LYS . 8.8 m-85 -108.07 142.86 37.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -133.17 125.64 29.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.402 ' HB3' HG22 ' A' ' 86' ' ' THR . 3.4 t -95.39 107.04 19.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.455 HG21 ' HE ' ' A' ' 41' ' ' ARG . 2.0 t -94.96 134.99 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.099 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 25.2 p -119.27 24.51 10.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 128.31 -77.57 0.39 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -107.65 -44.2 4.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -100.94 170.64 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -166.01 165.33 18.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 87' ' ' SER . 7.8 t -113.39 -175.45 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.418 ' N ' ' OG1' ' A' ' 86' ' ' THR . 1.4 p -158.19 146.32 18.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.951 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -154.82 106.37 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.087 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.501 ' CE ' ' O ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -54.87 122.23 10.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 18' ' ' GLN . 9.5 tp -102.42 112.84 25.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.8 m -105.35 125.2 50.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.479 ' O ' ' CE ' ' A' ' 71' ' ' MET . 99.0 t -104.04 96.02 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -62.97 110.92 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.66 126.26 26.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.7 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.62 0.724 . . . . 0.0 110.879 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.736 0.303 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -114.45 141.82 47.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 87.0 m-85 -72.54 96.77 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.557 HD11 ' HG2' ' A' ' 31' ' ' GLU . 45.7 pt -65.35 -32.03 56.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -128.08 116.39 19.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -80.97 134.02 35.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.866 HG23 ' HB2' ' A' ' 88' ' ' ALA . 26.0 m -53.24 160.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -101.9 146.51 27.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -40.13 140.87 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.2 tp-100 -98.32 146.81 25.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -159.16 126.17 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.446 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -161.26 147.32 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.3 mtt-85 -72.67 148.73 44.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -43.86 144.57 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.85 30.15 56.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.414 ' C ' HD12 ' A' ' 69' ' ' LEU . . . -123.19 -179.72 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -123.59 106.4 10.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.469 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -60.89 159.68 10.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.403 HG22 ' HG2' ' A' ' 65' ' ' GLN . 3.7 t -144.73 106.9 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.545 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.1 mt -104.21 114.66 29.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.768 ' O ' HG12 ' A' ' 15' ' ' VAL . 84.7 mt-30 -114.65 137.92 51.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.476 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 2.3 p -140.4 178.14 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.557 ' HG2' HD11 ' A' ' 12' ' ' ILE . 28.2 tt0 -141.41 148.99 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.6 mt -120.9 154.26 36.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.421 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -71.07 -20.16 62.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.6 t -153.11 146.75 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.46 115.51 1.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.68 148.92 9.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 175.84 7.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.262 . . . . 0.0 112.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -151.2 -179.33 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -157.06 105.85 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.545 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 76.1 m95 -74.44 131.16 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.522 ' HE ' HG21 ' A' ' 80' ' ' VAL . 35.2 mtt-85 -116.88 178.8 4.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.587 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 9.1 tttp -156.75 105.03 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.8 61.7 5.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.3 m 63.33 48.16 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 2.8 pt-20 -153.38 133.31 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.8 m -89.14 129.36 35.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 mt -100.69 161.05 13.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -140.81 151.02 44.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.618 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -70.26 139.83 52.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.07 -128.34 1.02 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.442 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.69 -69.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.6 mtm-85 -70.27 -35.72 73.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -93.89 150.31 20.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.99 109.78 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.618 HD13 ' CA ' ' A' ' 49' ' ' ASP . 6.7 mp -105.89 107.54 18.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -116.61 131.14 57.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 58' ' ' ASP . 36.4 tt0 -127.54 148.0 50.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.405 ' N ' ' HG2' ' A' ' 57' ' ' GLN . 14.7 t70 -133.59 77.99 1.75 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.48 -85.31 1.42 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.464 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.3 p -114.25 -21.74 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 111.163 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -87.07 145.77 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.8 m -124.71 169.57 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -160.34 130.29 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.664 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.2 tm? -131.98 117.53 18.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.664 ' N ' HD22 ' A' ' 64' ' ' LEU . 18.1 mt-30 -106.32 147.08 29.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.495 HD13 ' CZ ' ' A' ' 77' ' ' TYR . 18.7 mt -127.22 98.52 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -78.67 132.28 36.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.03 47.18 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.446 HD13 ' HB3' ' A' ' 20' ' ' ALA . 50.9 mt -66.46 131.52 46.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.56 168.98 22.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.461 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 12.9 mmt -49.1 -31.65 8.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.26 -44.62 59.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.2 -32.68 49.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.3 m -51.04 113.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.44 -134.13 1.62 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -141.31 120.43 12.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.345 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.587 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 54.6 m-85 -104.05 150.24 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 m -139.7 125.94 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.1 t -94.92 100.28 12.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.522 HG21 ' HE ' ' A' ' 41' ' ' ARG . 2.2 t -88.28 145.8 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 15.5 p -132.05 15.73 4.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.482 ' H ' HG12 ' A' ' 80' ' ' VAL . . . 131.31 -79.25 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -103.08 -45.36 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -100.58 163.51 12.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.417 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 7.6 ptp180 -162.38 154.06 18.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 87' ' ' SER . 5.7 t -108.96 -176.18 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.438 ' N ' ' OG1' ' A' ' 86' ' ' THR . 2.7 p -160.29 152.85 20.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.866 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -157.72 105.97 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.9 mmm -54.9 127.07 27.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.525 HD23 ' CE1' ' A' ' 77' ' ' TYR . 5.4 tp -106.49 115.37 30.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.464 ' N ' HD12 ' A' ' 90' ' ' LEU . 54.6 m -102.38 125.36 49.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.461 ' O ' ' CE ' ' A' ' 71' ' ' MET . 99.8 t -105.33 95.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -67.6 112.87 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.18 141.64 28.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 48.0 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.579 0.704 . . . . 0.0 110.921 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.786 0.327 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -105.8 132.16 52.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 97.3 m-85 -62.84 103.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 13' ' ' GLU . 45.2 pt -72.36 -29.74 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.404 ' N ' HG13 ' A' ' 12' ' ' ILE . 37.6 mt-10 -124.66 118.04 25.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.71 135.03 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.964 HG23 ' HB2' ' A' ' 88' ' ' ALA . 30.4 m -54.71 162.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -101.02 152.77 20.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -46.79 148.82 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.615 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.5 tp-100 -111.04 135.93 50.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -150.58 122.17 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.31 148.52 20.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 mtt85 -70.43 143.92 51.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -39.72 154.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.04 22.72 74.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.09 -177.79 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.883 0.373 . . . . 0.0 111.072 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 m -123.33 108.85 13.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.615 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -72.84 154.97 40.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.074 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.724 HG22 ' HG2' ' A' ' 65' ' ' GLN . 92.4 t -137.88 120.89 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 64' ' ' LEU . 9.6 mt -114.69 111.79 21.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.872 ' O ' HG12 ' A' ' 15' ' ' VAL . 86.8 mt-30 -114.51 142.98 45.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 1.2 p -144.5 -178.8 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -140.5 155.29 46.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD21 ' CE1' ' A' ' 11' ' ' PHE . 8.0 mt -131.24 148.34 52.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -14.9 62.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -161.52 146.08 13.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.42 118.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.468 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -159.99 149.86 14.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.566 0.698 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 176.86 6.17 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.368 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.1 m -151.51 161.03 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.695 ' CG ' HG23 ' A' ' 46' ' ' THR . 38.4 tt0 -132.13 80.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.817 ' CD1' HD22 ' A' ' 55' ' ' LEU . 99.4 m95 -49.81 111.66 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -99.59 -174.58 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.671 ' HB2' HD11 ' A' ' 47' ' ' LEU . 8.8 tmtt? -170.97 128.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.95 40.96 0.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m 75.01 45.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 42' ' ' LYS . 2.8 pt-20 -152.0 132.11 13.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.695 HG23 ' CG ' ' A' ' 39' ' ' GLU . 26.8 m -77.49 131.63 38.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.671 HD11 ' HB2' ' A' ' 42' ' ' LYS . 14.3 mt -105.09 168.81 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -147.24 149.67 33.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.78 137.11 56.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.45 -118.93 0.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.32 -62.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -70.14 -24.93 63.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -114.57 141.31 47.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.62 100.11 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.994 HD23 HD23 ' A' ' 64' ' ' LEU . 8.0 mt -98.28 121.53 40.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -130.11 119.28 22.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 42.0 tt0 -110.88 144.31 40.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -133.4 74.12 1.55 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.41 -86.4 1.46 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.7 p -113.77 -23.66 9.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.857 0.361 . . . . 0.0 111.128 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -85.97 143.77 27.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 61.0 m -121.25 169.04 10.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -161.55 132.46 5.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.994 HD23 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -136.65 116.73 13.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.805 ' N ' HD22 ' A' ' 64' ' ' LEU . 21.8 mt-30 -103.23 145.65 29.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.0 mt -123.27 121.19 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -100.93 119.42 38.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.52 42.89 1.1 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.541 ' CD2' HD21 ' A' ' 90' ' ' LEU . 43.9 mt -61.31 111.72 1.87 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -134.91 159.09 42.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.46 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 11.3 mmt -38.76 -31.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.59 67.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 70' ' ' ALA . 9.4 m-20 -54.33 -35.19 62.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.7 m -47.0 104.44 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.95 -130.77 1.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.492 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -146.9 112.53 5.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 10.5 m-85 -95.98 145.22 25.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 m -135.01 126.34 28.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 t -95.71 100.46 12.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.488 HG13 ' HB3' ' A' ' 85' ' ' ARG . 2.1 t -93.32 138.15 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -110.1 -52.81 2.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.23 -65.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -112.22 -33.12 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -116.08 173.97 6.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.574 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -166.54 172.05 11.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 87' ' ' SER . 7.1 t -118.38 -177.35 3.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.406 ' N ' ' OG1' ' A' ' 86' ' ' THR . 0.6 OUTLIER -161.36 145.41 13.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.964 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -151.1 105.03 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.055 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.7 tpp -52.68 127.74 24.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' A' ' 69' ' ' LEU . 8.3 tp -108.09 109.76 21.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.8 m -96.32 124.24 40.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.46 ' O ' ' CE ' ' A' ' 71' ' ' MET . 86.0 t -103.38 95.48 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 -68.36 111.3 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.19 122.66 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.4 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.619 0.723 . . . . 0.0 110.922 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.78 0.324 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.485 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 16.6 ptt180 -118.44 141.31 48.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.577 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 92.3 m-85 -69.11 102.82 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.566 HD11 ' HG2' ' A' ' 31' ' ' GLU . 44.9 pt -71.26 -28.83 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -131.13 123.68 29.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -84.16 129.06 34.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.81 HG12 ' O ' ' A' ' 29' ' ' GLN . 32.8 m -47.0 159.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -94.79 155.51 16.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -50.96 127.42 18.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.509 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -87.96 136.14 33.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -154.92 125.56 6.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.66 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -156.14 153.74 29.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -75.97 147.28 38.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.468 ' HG3' HG12 ' A' ' 92' ' ' VAL . 17.3 mt-10 -48.26 133.2 15.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.18 28.87 16.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.438 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -127.28 -179.79 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 111.066 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.5 m -121.75 105.31 10.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.409 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -65.1 159.27 23.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.509 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 93.0 t -140.71 105.9 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 6.9 mt -100.75 113.13 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.81 ' O ' HG12 ' A' ' 15' ' ' VAL . 69.4 mt-30 -114.3 144.03 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.422 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 5.0 p -140.61 -178.98 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.566 ' HG2' HD11 ' A' ' 12' ' ' ILE . 9.2 tt0 -139.0 146.91 41.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.1 mt -122.81 153.3 39.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.485 ' ND2' ' HG2' ' A' ' 10' ' ' ARG . 24.5 p-10 -67.57 -24.05 65.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.42 ' C ' HG22 ' A' ' 60' ' ' THR . 8.7 t -152.81 151.96 31.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.94 115.72 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.409 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -164.63 153.13 10.97 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.579 0.705 . . . . 0.0 111.099 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 173.26 11.18 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.358 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.411 HG12 ' HB3' ' A' ' 81' ' ' CYS . 21.4 m -155.38 171.88 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.499 ' CD ' ' N ' ' A' ' 40' ' ' TRP . 1.6 tm-20 -138.82 130.53 27.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.543 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 92.5 m95 -97.29 110.27 22.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.419 ' CG ' ' OE1' ' A' ' 39' ' ' GLU . 63.2 mtm180 -94.22 -174.26 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.542 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 16.4 tttt -167.26 125.69 1.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 37.74 42.75 1.1 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 t 74.96 46.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -152.33 133.05 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.47 HG23 ' CD ' ' A' ' 39' ' ' GLU . 81.0 m -81.94 120.31 25.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.415 HD11 ' HB2' ' A' ' 42' ' ' LYS . 11.3 mt -88.51 163.63 15.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -136.68 146.71 46.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.526 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -69.24 129.56 40.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.02 -139.61 2.71 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.95 -55.29 6.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -75.33 -42.56 54.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -94.62 149.98 20.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -145.95 105.06 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 55' ' ' LEU . 5.8 mp -98.54 105.03 17.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -105.92 178.84 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 43.7 tt0 -175.04 143.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -133.82 72.78 1.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.52 -91.73 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.42 HG22 ' C ' ' A' ' 34' ' ' SER . 5.0 p -108.32 -23.75 11.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.821 0.343 . . . . 0.0 111.115 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -84.41 149.41 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 35.7 m -123.87 172.53 8.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -162.64 138.27 7.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.2 tm? -140.55 116.2 10.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.652 ' N ' HD22 ' A' ' 64' ' ' LEU . 20.0 mt-30 -101.05 143.4 31.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.4 mt -122.56 95.89 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.2 mtp85 -75.89 122.92 24.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.24 56.83 0.82 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.66 HD13 ' HB3' ' A' ' 20' ' ' ALA . 51.0 mt -73.78 114.94 12.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.338 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.84 162.28 33.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.8 mmt -42.04 -41.32 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.59 98.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.4 -29.34 64.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.9 m -52.74 104.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.58 -137.98 2.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -133.95 132.34 40.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.542 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 16.3 m-85 -115.6 140.52 49.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.4 m -133.27 125.89 30.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.562 ' HB3' HG22 ' A' ' 86' ' ' THR . 9.1 t -95.04 113.08 24.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 t -101.63 132.93 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 19.4 p -121.0 28.4 7.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.93 -82.7 0.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -103.04 -48.0 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 110.931 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -93.23 168.94 10.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.577 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 2.9 ptp180 -167.44 159.49 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.562 HG22 ' HB3' ' A' ' 79' ' ' CYS . 7.7 t -111.37 -178.74 3.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.1 147.39 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.718 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -162.39 110.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.074 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.22 127.79 33.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.433 HD23 ' CE1' ' A' ' 77' ' ' TYR . 4.8 tp -100.95 113.77 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 35.2 m -98.94 124.03 43.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.468 HG12 ' HG3' ' A' ' 22' ' ' GLU . 98.3 t -105.15 88.49 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -57.29 108.52 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.78 129.03 40.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.903 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.781 0.324 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 ptt-85 -115.14 127.06 55.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 89.7 m-85 -57.63 101.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 13' ' ' GLU . 46.3 pt -68.78 -31.7 51.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.423 ' N ' HG13 ' A' ' 12' ' ' ILE . 4.5 mm-40 -125.68 132.53 52.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.59 125.99 39.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.822 HG23 ' HB2' ' A' ' 88' ' ' ALA . 19.3 m -44.77 159.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -97.76 148.78 23.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -42.87 157.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.651 ' HB3' HD13 ' A' ' 90' ' ' LEU . 5.6 tp-100 -116.86 115.6 25.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -124.85 103.99 8.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.21 153.33 43.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.043 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -86.27 156.49 20.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.546 ' HG3' HG12 ' A' ' 92' ' ' VAL . 23.0 mt-10 -52.21 133.12 34.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.03 27.54 15.99 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -125.37 179.84 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.8 m -120.03 105.63 11.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.122 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.498 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -64.35 154.98 33.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.626 HG22 ' HG2' ' A' ' 65' ' ' GLN . 57.6 t -139.95 114.57 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.532 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 11.6 mt -114.73 114.21 25.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.797 ' O ' HG12 ' A' ' 15' ' ' VAL . 76.2 mt-30 -116.72 142.79 46.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.427 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 3.3 p -140.63 171.74 13.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -132.32 154.54 49.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.535 HD21 ' CE1' ' A' ' 11' ' ' PHE . 9.1 mt -131.09 148.48 52.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -20.42 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.3 t -156.58 141.53 17.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.585 ' N ' HG22 ' A' ' 60' ' ' THR . . . -39.44 109.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.07 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.07 149.74 30.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 111.089 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 176.37 6.81 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.736 2.291 . . . . 0.0 112.343 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.463 HG11 ' SG ' ' A' ' 62' ' ' CYS . 21.2 m -154.72 159.58 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.555 ' CG ' HG23 ' A' ' 46' ' ' THR . 32.8 tt0 -135.04 85.65 2.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.583 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 97.5 m95 -53.03 118.76 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.435 ' NE ' HG21 ' A' ' 80' ' ' VAL . 94.3 mtt180 -106.92 -178.84 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.574 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 5.9 tmtt? -167.03 131.32 1.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.95 52.3 0.67 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m 64.67 52.76 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 110.834 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -158.28 154.96 28.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.555 HG23 ' CG ' ' A' ' 39' ' ' GLU . 96.8 m -96.34 134.59 39.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.128 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.485 HD12 ' HB3' ' A' ' 40' ' ' TRP . 17.3 mt -100.22 163.52 12.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.9 mmm-85 -147.19 159.76 43.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.544 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -80.37 147.09 31.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.9 -131.76 1.37 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.498 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -88.36 -44.66 10.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -87.77 -38.1 16.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -92.72 158.54 15.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -151.01 105.07 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.805 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.544 HD13 ' N ' ' A' ' 49' ' ' ASP . 6.6 mp -103.31 103.48 13.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -110.5 174.83 5.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -170.34 137.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -123.02 75.19 1.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.01 -85.46 1.57 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.585 HG22 ' N ' ' A' ' 35' ' ' ALA . 54.8 p -111.87 -23.68 10.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.379 . . . . 0.0 111.155 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -85.39 141.22 30.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.463 ' SG ' HG11 ' A' ' 38' ' ' VAL . 17.0 m -117.44 172.07 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -160.61 136.87 8.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.59 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.2 tm? -140.09 112.95 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.626 ' HG2' HG22 ' A' ' 27' ' ' VAL . 25.6 mt-30 -103.28 142.6 33.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.2 mt -123.26 97.51 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -78.74 131.6 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.44 50.97 2.63 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.1 mt -62.78 149.36 44.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -158.26 170.93 21.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.0 mmt -53.45 -51.12 63.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.93 -44.7 50.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -55.23 -27.45 46.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.6 m -55.71 102.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.87 -128.33 0.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -138.91 129.02 25.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.574 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 27.5 m-85 -112.36 137.24 50.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 m -134.68 130.92 37.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 t -99.88 109.16 21.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.469 HG13 ' HB3' ' A' ' 85' ' ' ARG . 1.6 t -98.36 138.58 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.4 -43.54 3.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.42 -64.06 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -106.14 -39.09 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.907 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -115.84 169.55 9.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 8.8 ptp180 -160.22 166.84 28.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 87' ' ' SER . 5.4 t -114.96 -178.0 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.164 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.432 ' N ' ' OG1' ' A' ' 86' ' ' THR . 0.9 OUTLIER -156.65 148.11 22.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.822 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -160.2 106.88 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.7 tpp -56.97 137.96 54.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.651 HD13 ' HB3' ' A' ' 18' ' ' GLN . 6.9 tp -114.27 103.13 10.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.2 m -90.36 117.37 29.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.546 HG12 ' HG3' ' A' ' 22' ' ' GLU . 90.2 t -96.75 86.79 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -58.62 104.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.89 139.39 17.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.8 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.581 0.705 . . . . 0.0 110.951 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.818 0.342 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 -120.93 136.67 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 92.3 m-85 -63.65 101.24 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 45.9 pt -70.63 -31.37 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -124.93 117.17 23.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.42 136.89 35.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.813 HG12 ' O ' ' A' ' 29' ' ' GLN . 22.3 m -56.47 165.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -106.73 150.91 25.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -42.53 152.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.597 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 5.8 tp-100 -114.33 113.73 24.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -123.88 103.05 8.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.7 149.47 47.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -77.05 154.35 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.671 ' O ' HD11 ' A' ' 95' ' ' LEU . 15.0 mt-10 -53.09 140.76 24.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.03 28.85 39.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -125.41 -175.6 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 111.072 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.5 m -123.78 107.43 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.597 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -62.35 168.67 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.416 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 24.0 t -149.92 112.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.179 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.591 HD12 HD12 ' A' ' 64' ' ' LEU . 10.1 mt -112.51 108.49 17.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.813 ' O ' HG12 ' A' ' 15' ' ' VAL . 84.7 mt-30 -110.99 139.61 46.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.517 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 8.0 p -142.34 168.6 19.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -130.29 153.43 48.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.0 mt -123.91 153.26 41.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.454 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -68.61 -20.8 64.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 t -156.6 145.73 20.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.83 117.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.424 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -164.95 151.45 9.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 175.76 7.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m -151.3 171.39 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -146.56 106.21 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.767 ' CD1' HD22 ' A' ' 55' ' ' LEU . 86.8 m95 -73.74 120.97 20.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -112.4 -178.82 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.583 ' HD2' ' CE1' ' A' ' 77' ' ' TYR . 13.1 tttp -162.22 128.82 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 32.61 55.48 0.47 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.45 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m 64.53 52.7 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -154.99 138.3 15.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.0 m -89.66 129.56 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 42' ' ' LYS . 8.7 mt -100.32 171.74 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 4.9 mmm180 -152.82 146.75 25.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.15 137.18 57.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.75 -128.07 0.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.14 -55.81 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.9 mtm-85 -75.29 -44.5 45.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -92.17 139.94 30.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.7 97.63 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.821 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.024 HD23 HD23 ' A' ' 64' ' ' LEU . 4.6 mt -94.47 121.69 36.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -129.79 117.94 21.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 33.0 tt0 -112.39 142.55 44.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -134.58 76.07 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.18 -90.72 1.57 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.436 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.4 p -110.57 -22.94 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -86.65 148.1 25.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 64.9 m -129.23 170.3 13.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 35.1 tt0 -162.49 134.06 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.024 HD23 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -135.83 110.45 8.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.657 ' N ' HD22 ' A' ' 64' ' ' LEU . 26.4 mt-30 -96.7 147.57 23.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.55 HD13 ' CZ ' ' A' ' 77' ' ' TYR . 42.7 mt -125.72 100.92 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -85.7 123.37 31.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.35 47.18 1.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.656 HD21 HD21 ' A' ' 90' ' ' LEU . 28.9 mt -65.16 142.72 58.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.754 0.311 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.24 158.06 23.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.9 mmt -42.44 -31.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.61 -44.78 61.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.41 -32.9 51.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.2 m -47.08 117.12 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -168.15 -138.49 2.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -137.19 118.56 14.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.354 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.583 ' CE1' ' HD2' ' A' ' 42' ' ' LYS . 86.3 m-85 -100.2 139.3 36.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -132.62 121.11 22.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.0 t -93.61 104.68 16.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.0 t -93.38 135.11 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.587 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 19.2 p -107.55 -39.69 5.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 179.05 -64.31 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -103.28 -39.52 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -118.63 170.21 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 3.6 ptt-85 -158.27 166.03 33.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.5 t -116.64 -176.86 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.06 149.34 21.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.808 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -159.29 105.06 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.9 tpp -56.94 129.38 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.656 HD21 HD21 ' A' ' 69' ' ' LEU . 9.4 tp -104.97 100.41 10.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 48.7 m -88.01 111.51 21.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.595 HG22 HD22 ' A' ' 69' ' ' LEU . 81.6 t -88.07 89.18 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -56.32 110.87 0.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.66 135.09 57.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.671 HD11 ' O ' ' A' ' 22' ' ' GLU . 17.4 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.6 0.714 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.766 0.317 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -114.14 134.38 54.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 59.0 m-85 -61.55 93.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.658 HD11 ' HG2' ' A' ' 31' ' ' GLU . 46.4 pt -60.58 -27.6 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -129.85 137.14 50.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.0 126.8 50.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.78 HG12 ' O ' ' A' ' 29' ' ' GLN . 16.0 m -47.9 166.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -176.04 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -69.46 137.46 52.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.531 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.2 tp-100 -100.81 131.0 46.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -141.98 130.36 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.478 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -162.96 144.92 10.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -73.03 144.29 47.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.74 ' O ' HD11 ' A' ' 95' ' ' LEU . 34.7 mt-10 -40.55 139.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.23 25.63 50.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.465 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -117.7 -177.09 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.4 m -125.83 101.57 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.531 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -56.88 160.87 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.3 t -145.64 107.02 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.669 HD12 HD12 ' A' ' 64' ' ' LEU . 10.7 mt -104.55 117.02 33.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.78 ' O ' HG12 ' A' ' 15' ' ' VAL . 76.8 mt-30 -113.71 142.16 46.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 p -146.81 177.19 9.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.658 ' HG2' HD11 ' A' ' 12' ' ' ILE . 4.2 tt0 -135.95 159.45 41.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.479 HD11 ' CG1' ' A' ' 38' ' ' VAL . 31.7 mt -127.44 152.99 46.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.472 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -73.41 -1.99 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.511 ' C ' HG22 ' A' ' 60' ' ' THR . 1.1 m -174.45 150.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.07 113.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.461 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -167.72 150.2 5.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 176.51 6.71 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG1' HD11 ' A' ' 32' ' ' LEU . 24.1 m -155.95 -176.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -151.54 125.64 9.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.582 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 89.7 m95 -90.27 115.51 27.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -101.57 -173.9 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.513 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 3.4 tttm -170.28 126.0 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.77 54.09 1.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.49 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m 64.26 49.87 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' CD ' ' HB3' ' A' ' 42' ' ' LYS . 2.1 pt-20 -152.02 139.09 19.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.4 m -92.38 120.39 32.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.7 mt -88.12 164.96 15.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -143.01 150.05 39.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.491 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -69.84 128.03 34.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -158.15 -143.0 3.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -73.66 -51.17 17.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -81.1 -40.91 23.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -95.44 151.45 19.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.19 105.44 3.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.502 ' N ' HD12 ' A' ' 55' ' ' LEU . 6.6 mp -102.48 102.71 13.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -108.04 175.98 5.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 29.8 tt0 -170.28 145.66 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.424 ' N ' ' HG2' ' A' ' 57' ' ' GLN . 1.6 t70 -133.03 74.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.48 -88.28 1.57 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.511 HG22 ' C ' ' A' ' 34' ' ' SER . 14.0 p -111.31 -25.0 9.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 111.118 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -83.44 155.64 23.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.5 m -131.31 173.31 11.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -163.4 130.19 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.669 HD12 HD12 ' A' ' 28' ' ' LEU . 1.1 tm? -129.44 118.88 22.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.649 ' N ' HD22 ' A' ' 64' ' ' LEU . 33.1 mt-30 -105.63 139.52 40.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.9 mt -121.19 95.8 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -81.19 128.82 34.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.18 43.89 2.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' A' ' 20' ' ' ALA . 65.5 mt -61.7 143.0 56.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 110.932 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -160.56 160.16 31.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.8 mmt -37.69 -45.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.39 -43.17 88.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER -56.03 -31.85 63.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.8 m -50.0 104.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.09 -141.35 3.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.71 142.4 50.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.513 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 21.1 m-85 -125.08 139.76 53.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 m -130.96 121.66 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.407 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 5.6 t -92.32 106.06 18.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 t -93.07 142.24 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 25.9 p -118.84 -31.38 4.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 174.68 -70.95 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -104.66 -33.55 8.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -117.24 162.87 17.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.531 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 4.8 ptp180 -158.8 157.35 31.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.8 t -104.41 -177.58 3.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 p -161.3 143.36 11.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.519 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -164.29 123.06 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.064 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 19.6 mtp -67.64 147.73 52.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.406 HD21 ' CD2' ' A' ' 69' ' ' LEU . 4.7 tp -119.49 108.27 14.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 64.5 m -89.94 127.38 36.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.409 HG12 ' HG3' ' A' ' 22' ' ' GLU . 86.6 t -108.71 86.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -57.38 103.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.408 ' HA ' ' CD ' ' A' ' 22' ' ' GLU . . . -49.89 143.33 7.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.74 HD11 ' O ' ' A' ' 22' ' ' GLU . 15.2 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.808 0.337 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -118.92 126.39 51.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 97.4 m-85 -50.16 96.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 44.3 pt -64.37 -31.49 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.426 ' N ' HG13 ' A' ' 12' ' ' ILE . 22.7 mm-40 -122.88 128.9 50.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -90.12 134.67 34.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.942 HG12 ' O ' ' A' ' 29' ' ' GLN . 33.2 m -55.59 163.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -102.26 150.73 23.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -42.16 161.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.553 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.5 tp-100 -126.07 132.01 52.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -146.39 134.72 21.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.11 152.66 3.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -78.61 151.23 32.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.695 ' O ' HD11 ' A' ' 95' ' ' LEU . 13.8 mt-10 -44.44 144.88 0.94 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.55 28.92 56.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.562 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -118.54 -174.83 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.898 0.38 . . . . 0.0 111.073 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.5 m -128.94 106.77 9.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.553 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -69.74 154.93 41.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.051 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.65 HG22 ' HG2' ' A' ' 65' ' ' GLN . 95.3 t -138.66 118.96 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.462 HD12 HD12 ' A' ' 64' ' ' LEU . 9.4 mt -117.7 112.76 20.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.942 ' O ' HG12 ' A' ' 15' ' ' VAL . 78.4 mt-30 -114.1 145.04 42.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.453 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 3.9 p -147.28 169.47 19.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -131.58 148.66 52.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD21 ' CE1' ' A' ' 11' ' ' PHE . 12.1 mt -120.55 147.43 45.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.2 t30 -58.81 -22.92 59.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' ALA . 12.1 t -162.46 144.93 11.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.52 ' N ' HG22 ' A' ' 60' ' ' THR . . . -34.06 117.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.499 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -159.83 148.89 14.05 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.577 0.703 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.434 ' O ' HG13 ' A' ' 38' ' ' VAL . 53.4 Cg_endo -69.82 178.49 4.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.645 2.23 . . . . 0.0 112.308 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 37' ' ' PRO . 18.8 m -156.99 159.8 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.662 ' CG ' HG23 ' A' ' 46' ' ' THR . 32.4 tt0 -134.7 85.97 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.879 ' CD1' HD22 ' A' ' 55' ' ' LEU . 99.3 m95 -53.21 113.96 1.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -102.71 -176.85 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.526 ' HB2' HD11 ' A' ' 47' ' ' LEU . 34.2 tttt -168.83 130.6 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.7 45.26 0.36 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.537 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m 70.82 50.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 110.856 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -156.63 130.35 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.662 HG23 ' CG ' ' A' ' 39' ' ' GLU . 53.5 m -75.82 134.24 40.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' ' 42' ' ' LYS . 7.7 mt -106.78 165.27 11.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -147.29 150.36 34.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -64.11 137.91 58.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.68 -126.98 0.87 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -88.47 -49.21 7.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.812 0.339 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -82.48 -41.2 20.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -94.34 139.99 30.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.43 96.82 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.972 HD23 HD23 ' A' ' 64' ' ' LEU . 5.8 mt -93.56 120.64 34.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -129.59 112.52 13.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 35.7 tt0 -107.19 140.5 39.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -128.88 78.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.84 -89.18 1.25 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.52 HG22 ' N ' ' A' ' 35' ' ' ALA . 23.0 p -109.34 -25.85 10.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 111.147 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -83.34 155.04 23.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.7 m -133.16 173.3 11.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 40.0 tt0 -165.1 138.64 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.972 HD23 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -141.69 114.3 8.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.65 ' HG2' HG22 ' A' ' 27' ' ' VAL . 43.4 mt-30 -102.5 146.52 28.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.4 mt -123.16 99.64 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -80.02 123.04 27.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.41 54.86 1.13 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.562 HD12 ' HB3' ' A' ' 24' ' ' ALA . 43.4 mt -67.43 112.27 4.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -122.95 146.9 47.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.427 ' SD ' ' HB2' ' A' ' 94' ' ' ALA . 77.0 mmm -38.23 -39.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.63 98.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 70' ' ' ALA . 87.8 m-20 -54.53 -36.82 64.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.5 m -39.71 114.11 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.74 -140.85 2.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.445 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -135.94 114.66 11.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 42' ' ' LYS . 22.7 m-85 -97.22 140.81 31.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -133.29 124.55 27.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.0 t -94.93 100.19 12.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.477 ' HA ' ' CB ' ' A' ' 85' ' ' ARG . 2.4 t -94.01 137.82 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.63 -53.66 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -161.64 -61.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -108.9 -38.03 5.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.741 0.305 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -117.3 172.58 7.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.578 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -165.27 171.05 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.2 t -123.94 179.67 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 p -158.07 155.74 29.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.794 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -157.66 105.23 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 71.1 mmm -52.28 126.96 20.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.469 HD23 ' CE1' ' A' ' 77' ' ' TYR . 6.5 tp -108.22 115.7 30.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.434 ' N ' HD12 ' A' ' 90' ' ' LEU . 86.7 m -102.15 126.14 49.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.4 t -107.44 96.95 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -70.6 113.93 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.427 ' HB2' ' SD ' ' A' ' 71' ' ' MET . . . -52.54 147.7 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.695 HD11 ' O ' ' A' ' 22' ' ' GLU . 36.1 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.565 0.698 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 14.3 ptt-85 -108.67 148.44 30.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 73.5 m-85 -74.08 93.1 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.441 HG13 ' N ' ' A' ' 13' ' ' GLU . 40.3 pt -60.1 -32.82 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.441 ' N ' HG13 ' A' ' 12' ' ' ILE . 13.9 mm-40 -124.67 134.06 53.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.62 129.39 42.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.938 HG12 ' O ' ' A' ' 29' ' ' GLN . 34.0 m -47.33 162.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -98.64 152.97 19.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -47.65 127.2 11.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.504 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -88.68 133.92 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -155.37 125.56 6.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.439 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -156.0 150.42 25.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.9 ptt85 -73.01 151.89 41.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -51.13 137.55 21.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.14 32.86 16.01 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -132.04 -178.28 4.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.8 m -125.4 103.26 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HB1' ' OE1' ' A' ' 18' ' ' GLN . . . -58.59 162.04 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.818 HG22 ' HG2' ' A' ' 65' ' ' GLN . 82.1 t -143.22 106.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.458 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 7.7 mt -102.11 117.75 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.938 ' O ' HG12 ' A' ' 15' ' ' VAL . 75.6 mt-30 -116.68 145.51 43.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.5 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 3.5 p -146.7 174.37 11.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.433 ' HG2' HD11 ' A' ' 12' ' ' ILE . 24.4 tt0 -134.71 160.5 37.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.8 mt -133.4 153.25 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -66.61 -24.42 66.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 t -152.95 152.25 31.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.24 111.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.509 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -158.87 151.03 17.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 111.083 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 176.04 7.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.8 m -150.31 176.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 80' ' ' VAL . 9.0 tt0 -150.5 105.29 3.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.773 ' CD1' HD22 ' A' ' 55' ' ' LEU . 83.7 m95 -72.82 128.13 34.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -111.68 169.54 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.426 ' HB2' HD21 ' A' ' 47' ' ' LEU . 18.6 tttt -134.98 92.71 2.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.38 -82.23 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.5 p -135.01 30.21 3.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.845 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -141.2 173.77 11.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.459 HG23 ' HG2' ' A' ' 39' ' ' GLU . 26.1 m -114.88 140.59 48.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' A' ' 42' ' ' LYS . 15.8 mt -105.73 165.6 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -151.43 143.25 23.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -52.73 120.93 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.31 -128.21 1.54 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -88.05 -56.91 3.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -74.52 -42.52 58.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -89.94 138.19 31.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.13 97.08 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.863 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.976 HD23 HD23 ' A' ' 64' ' ' LEU . 6.0 mt -93.6 119.29 32.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -129.49 109.63 11.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 24.4 tt0 -106.68 146.09 31.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 57' ' ' GLN . 8.0 t0 -133.86 71.76 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.19 -89.93 1.63 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.0 p -109.83 -23.75 11.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.117 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -87.28 151.1 23.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 58.3 m -128.8 175.21 8.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -166.92 123.35 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.976 HD23 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -128.0 117.32 21.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.818 ' HG2' HG22 ' A' ' 27' ' ' VAL . 29.1 mt-30 -106.25 149.28 27.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.2 mt -124.12 95.51 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -75.53 126.43 30.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.403 ' O ' ' OD2' ' A' ' 73' ' ' ASP . . . 97.88 53.87 1.26 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.518 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.439 HD13 ' HB3' ' A' ' 20' ' ' ALA . 53.1 mt -69.66 143.9 53.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.03 171.39 17.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.407 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 12.7 mmt -53.48 -38.89 64.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.99 -43.36 88.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.403 ' OD2' ' O ' ' A' ' 68' ' ' GLY . 75.9 m-20 -53.98 -36.49 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.0 m -43.54 105.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.31 -144.76 4.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -131.88 133.01 44.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.492 ' CE1' HD23 ' A' ' 90' ' ' LEU . 15.4 m-85 -117.94 142.86 46.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -134.36 119.62 18.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.554 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 2.3 t -87.37 99.01 11.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.841 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 39' ' ' GLU . 2.3 t -87.05 134.0 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 25.4 p -111.03 -37.52 5.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -179.02 -77.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -96.51 -31.71 12.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.431 ' CG ' ' HA ' ' A' ' 10' ' ' ARG . 1.1 pm0 -121.24 167.88 12.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.54 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 7.2 ptp180 -159.96 158.74 31.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.8 t -108.11 176.89 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 p -155.34 149.1 25.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.685 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -158.52 115.46 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 70.2 mmm -62.74 121.85 14.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.492 HD23 ' CE1' ' A' ' 77' ' ' TYR . 5.4 tp -98.06 110.73 23.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 73.1 m -100.26 129.04 46.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.407 ' O ' ' CE ' ' A' ' 71' ' ' MET . 85.3 t -107.65 96.46 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -67.81 112.87 5.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.3 132.27 53.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.956 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.786 0.326 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -118.13 133.15 56.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.584 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 81.7 m-85 -66.82 103.94 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.68 HD11 ' HG2' ' A' ' 31' ' ' GLU . 45.5 pt -70.59 -32.05 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.422 ' N ' HG13 ' A' ' 12' ' ' ILE . 11.2 mm-40 -128.3 131.62 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -91.69 135.95 33.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.978 HG12 ' O ' ' A' ' 29' ' ' GLN . 31.5 m -56.0 163.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -102.93 147.12 27.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -39.51 152.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -114.42 131.62 56.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -148.45 128.39 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.01 150.42 9.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -73.85 148.3 42.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -44.27 146.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.84 30.95 55.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.29 -179.62 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 111.093 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.5 m -121.87 102.38 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.47 169.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -153.95 108.93 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.438 HD12 HD12 ' A' ' 64' ' ' LEU . 10.1 mt -111.79 107.96 17.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.978 ' O ' HG12 ' A' ' 15' ' ' VAL . 77.0 mt-30 -108.74 145.12 35.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.457 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 7.1 p -147.1 173.18 12.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.68 ' HG2' HD11 ' A' ' 12' ' ' ILE . 23.6 tt0 -134.03 150.07 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.422 HD11 ' CG1' ' A' ' 38' ' ' VAL . 14.1 mt -120.0 150.13 41.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.485 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -67.91 -20.42 65.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.8 t -153.29 145.43 23.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.03 115.45 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.6 151.38 7.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.534 0.683 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 170.06 17.55 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.633 2.222 . . . . 0.0 112.345 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.422 ' CG1' HD11 ' A' ' 32' ' ' LEU . 21.9 m -148.12 178.44 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.412 ' CG ' HG23 ' A' ' 46' ' ' THR . 2.6 tp10 -145.5 124.97 13.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.749 ' CD1' HD22 ' A' ' 55' ' ' LEU . 84.5 m95 -91.58 113.07 25.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.651 ' HE ' HG21 ' A' ' 80' ' ' VAL . 34.3 mtt-85 -100.64 -179.06 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.605 ' HB2' HD11 ' A' ' 47' ' ' LEU . 5.3 tttm -171.42 113.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.06 41.81 60.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 t 71.33 49.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -152.5 128.69 10.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.412 HG23 ' CG ' ' A' ' 39' ' ' GLU . 53.3 m -79.13 124.6 28.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' A' ' 42' ' ' LYS . 13.7 mt -99.33 160.37 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.501 ' HA ' HD11 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -138.43 169.65 17.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.18 128.22 34.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.09 -129.83 1.17 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -84.65 -56.03 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 mtm105 -76.86 -42.06 41.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -93.77 141.36 28.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.28 101.75 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.111 HD23 HD23 ' A' ' 64' ' ' LEU . 2.1 mt -97.82 118.85 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -117.92 177.69 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.794 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -171.55 135.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -125.47 68.48 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.12 -85.05 1.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.2 p -112.58 -23.06 10.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -85.96 149.09 25.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.2 m -128.55 166.48 18.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -153.19 152.32 31.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.111 HD23 HD23 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -151.58 111.56 4.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.574 ' N ' HD22 ' A' ' 64' ' ' LEU . 14.7 mt-30 -97.19 149.52 21.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.407 HD13 ' CZ ' ' A' ' 77' ' ' TYR . 26.6 mt -127.56 93.42 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -75.94 134.85 40.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.11 42.83 4.24 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.92 111.41 1.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 110.929 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.19 162.63 27.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 11.6 mmt -43.18 -34.39 1.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.73 -43.55 72.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.15 -33.2 62.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.0 m -46.58 105.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.33 -153.72 7.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -123.0 129.38 51.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.668 ' CE1' HD23 ' A' ' 90' ' ' LEU . 21.3 m-85 -112.79 142.27 45.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.0 m -132.31 122.04 24.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 t -91.91 106.63 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.651 HG21 ' HE ' ' A' ' 41' ' ' ARG . 2.8 t -93.05 144.35 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.584 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 17.1 p -131.83 38.46 3.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.12 -76.85 0.31 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -114.99 -46.58 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -95.7 166.45 11.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.572 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -163.56 166.45 22.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.0 t -113.32 -174.94 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 p -160.86 146.81 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.813 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -156.16 105.6 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 70.4 mmm -51.15 134.55 26.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.668 HD23 ' CE1' ' A' ' 77' ' ' TYR . 6.8 tp -115.69 116.86 28.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.7 m -105.28 130.22 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.433 ' O ' ' CE ' ' A' ' 71' ' ' MET . 61.3 t -107.55 90.39 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -59.99 107.45 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.35 128.64 35.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.628 0.727 . . . . 0.0 110.936 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.758 0.313 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.426 ' HA ' ' CD ' ' A' ' 84' ' ' GLU . 5.4 ptp85 -109.79 138.27 46.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.595 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 65.0 m-85 -74.07 100.54 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.478 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 42.9 pt -71.38 -28.18 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -126.31 128.76 47.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -93.67 138.24 32.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.954 HG12 ' O ' ' A' ' 29' ' ' GLN . 21.0 m -59.54 158.85 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 25.6 mmtp -92.85 167.18 12.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.69 127.22 30.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.504 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -83.8 133.0 34.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -153.06 107.73 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.51 164.53 29.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -82.81 155.54 24.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' HG3' HG12 ' A' ' 92' ' ' VAL . 14.8 mt-10 -55.82 139.75 44.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.54 -0.5 88.31 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.07 179.32 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.7 m -117.43 111.24 19.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.93 159.08 29.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.645 HG22 ' HG2' ' A' ' 65' ' ' GLN . 92.1 t -142.74 112.28 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 8.3 mt -110.81 113.59 26.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.954 ' O ' HG12 ' A' ' 15' ' ' VAL . 79.4 mt-30 -111.02 151.04 28.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.39 179.08 9.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -142.24 149.77 40.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 mt -121.79 151.97 40.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.478 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -71.22 -11.19 60.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.0 t -162.72 140.93 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.65 119.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -166.19 151.66 7.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.572 0.701 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 177.35 5.65 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.5 m -150.83 164.47 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.635 ' CG ' HG23 ' A' ' 46' ' ' THR . 33.1 tt0 -135.02 93.67 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.545 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 99.5 m95 -64.2 118.26 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.584 ' CZ ' HG21 ' A' ' 80' ' ' VAL . 82.4 mtt180 -106.24 -174.74 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.596 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 8.3 tmtt? -169.09 133.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.45 49.83 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.4 m 66.48 51.86 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' OE2' ' CD ' ' A' ' 42' ' ' LYS . 2.1 pt-20 -156.49 142.47 18.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.635 HG23 ' CG ' ' A' ' 39' ' ' GLU . 86.5 m -89.18 131.15 35.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.9 mt -100.77 166.76 10.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.962 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -141.71 153.08 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.701 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -72.53 118.01 14.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -145.81 -139.87 3.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -76.57 -54.18 7.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.861 0.362 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -74.84 -42.43 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -90.72 140.19 30.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.472 ' C ' HD12 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -134.52 112.12 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.822 -179.826 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.701 HD13 ' CB ' ' A' ' 49' ' ' ASP . 2.7 mp -103.91 113.65 27.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -120.61 120.29 35.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 42.2 tt0 -118.06 145.24 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -131.87 67.58 1.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.13 -82.52 1.61 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 52.2 p -116.23 -17.43 10.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.351 . . . . 0.0 111.114 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -89.24 146.54 24.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 21.9 m -125.91 162.13 25.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -158.38 124.31 4.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.678 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -123.87 118.82 27.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.678 ' N ' HD22 ' A' ' 64' ' ' LEU . 21.4 mt-30 -107.19 134.66 49.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.3 mt -113.43 99.07 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.1 mtp85 -77.99 123.96 27.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.71 53.7 1.29 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.0 mt -67.62 138.56 56.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -148.33 171.88 15.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.465 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 7.6 mmt -56.65 -42.21 78.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.11 -37.02 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -62.07 -29.5 70.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.3 m -53.35 111.63 0.74 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.093 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.28 -125.7 0.82 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -145.03 123.7 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.639 ' CE1' HD23 ' A' ' 90' ' ' LEU . 2.0 m-85 -107.83 149.38 28.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 86' ' ' THR . 1.6 m -138.54 128.34 25.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.2 t -102.09 105.43 16.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.584 HG21 ' CZ ' ' A' ' 41' ' ' ARG . 1.9 t -93.25 148.97 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.595 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 29.4 p -122.9 -39.85 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.85 -71.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -100.54 -40.42 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.942 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.426 ' CD ' ' HA ' ' A' ' 10' ' ' ARG . 7.2 pt-20 -117.52 175.09 5.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -161.42 171.38 18.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 78' ' ' SER . 6.8 t -127.92 159.86 33.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.37 159.15 42.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.891 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -156.46 107.06 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.09 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 58.4 mmm -48.6 120.28 3.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.639 HD23 ' CE1' ' A' ' 77' ' ' TYR . 3.8 tp -100.49 121.93 42.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.601 ' N ' HD12 ' A' ' 90' ' ' LEU . 3.2 m -112.96 118.46 34.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.465 ' O ' ' CE ' ' A' ' 71' ' ' MET . 78.7 t -95.17 103.3 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -70.26 104.05 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.79 127.25 22.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.7 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 110.938 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.768 0.318 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -114.3 144.2 43.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.594 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 80.4 m-85 -70.42 102.36 2.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 43.3 pt -71.6 -30.13 37.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 12' ' ' ILE . 11.9 mm-40 -125.38 129.38 49.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -91.46 131.4 36.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.892 HG12 ' O ' ' A' ' 29' ' ' GLN . 32.7 m -55.06 159.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -97.64 150.9 20.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -45.19 139.52 3.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.542 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.6 tp-100 -99.33 136.31 39.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -152.05 119.65 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.69 145.79 24.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -69.37 145.77 52.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.476 ' O ' HD11 ' A' ' 95' ' ' LEU . 24.5 mt-10 -40.86 149.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.69 31.02 67.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.6 179.19 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.2 m -121.88 102.97 8.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.542 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -59.28 159.6 7.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.56 HG22 ' HG2' ' A' ' 65' ' ' GLN . 18.3 t -142.78 110.45 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.583 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 9.9 mt -107.96 112.58 25.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.892 ' O ' HG12 ' A' ' 15' ' ' VAL . 81.8 mt-30 -111.56 139.81 46.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.49 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 8.1 p -144.29 172.3 13.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -135.35 149.63 49.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 mt -122.25 151.23 41.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.477 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.0 OUTLIER -65.64 -23.89 66.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.414 ' C ' HG22 ' A' ' 60' ' ' THR . 8.6 t -150.53 142.36 23.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.583 ' N ' HG22 ' A' ' 60' ' ' THR . . . -47.35 116.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.067 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.56 154.96 14.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.551 0.691 . . . . 0.0 111.122 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 177.18 5.88 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.0 m -154.97 -179.29 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 80' ' ' VAL . 26.5 tt0 -151.82 107.46 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.685 ' HB3' HD12 ' A' ' 47' ' ' LEU . 92.3 m95 -75.74 119.16 19.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.505 ' HE ' HG21 ' A' ' 80' ' ' VAL . 84.1 mtt-85 -108.38 175.91 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.472 ' HD2' ' CZ ' ' A' ' 77' ' ' TYR . 5.9 tttm -169.14 105.05 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.48 48.48 43.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 p 63.86 28.78 14.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.853 0.359 . . . . 0.0 110.906 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 46' ' ' THR . 3.5 pt-20 -121.23 175.78 5.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.46 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 24.4 m -124.2 111.51 15.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 40' ' ' TRP . 11.4 mt -75.06 165.61 24.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -150.24 149.13 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.59 ' CA ' HD13 ' A' ' 55' ' ' LEU . 34.8 t0 -75.42 139.0 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.16 -118.88 0.46 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -97.14 -65.25 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -65.7 -31.93 73.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.411 ' CE2' HG12 ' A' ' 66' ' ' ILE . 29.1 m-85 -99.91 162.37 13.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -154.82 105.46 2.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.59 HD13 ' CA ' ' A' ' 49' ' ' ASP . 6.5 mp -101.52 101.82 12.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -103.61 175.46 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -168.99 139.42 2.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -130.2 77.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.45 -87.09 1.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.583 HG22 ' N ' ' A' ' 35' ' ' ALA . 39.3 p -113.98 -22.73 9.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 111.131 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -85.68 148.62 25.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.5 m -126.83 170.12 12.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -159.76 128.18 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.639 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.4 tm? -128.24 119.42 25.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.639 ' N ' HD22 ' A' ' 64' ' ' LEU . 28.0 mt-30 -108.06 136.54 47.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.411 HG12 ' CE2' ' A' ' 53' ' ' TYR . 22.6 mt -118.43 94.05 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.9 mtt-85 -76.59 134.34 39.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.53 44.98 3.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.0 mt -64.66 147.8 52.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.8 171.74 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.1 mmt -53.95 -31.45 50.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.98 -41.32 67.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.26 -33.91 65.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.0 m -45.59 104.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.13 -153.54 7.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.532 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -123.21 126.03 46.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.611 ' CE1' HD23 ' A' ' 90' ' ' LEU . 3.9 m-85 -108.82 150.09 28.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -138.49 121.45 16.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.518 ' HB3' HG22 ' A' ' 86' ' ' THR . 5.1 t -88.52 100.49 13.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.505 HG21 ' HE ' ' A' ' 41' ' ' ARG . 1.8 t -89.16 136.14 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.594 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 30.8 p -120.95 27.24 8.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.53 -72.55 0.3 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -108.74 -43.92 4.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.736 0.303 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -101.56 168.55 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -167.55 155.62 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.518 HG22 ' HB3' ' A' ' 79' ' ' CYS . 8.1 t -106.85 -174.0 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.422 ' N ' ' OG1' ' A' ' 86' ' ' THR . 1.4 p -159.52 149.01 18.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.79 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -160.38 109.43 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 75.1 mmm -54.83 132.27 45.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.611 HD23 ' CE1' ' A' ' 77' ' ' TYR . 7.9 tp -111.88 113.29 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 63.6 m -102.43 127.47 49.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.0 t -106.41 88.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 93' ' ' ARG . 6.0 mmm180 -58.28 109.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.05 130.03 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.476 HD11 ' O ' ' A' ' 22' ' ' GLU . 27.2 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.555 0.693 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.767 0.318 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 7.1 ptt-85 -120.75 140.89 51.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 69.4 m-85 -73.52 93.13 1.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.612 HD11 ' HG2' ' A' ' 31' ' ' GLU . 43.7 pt -60.58 -30.8 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -121.9 132.92 54.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -101.55 127.97 48.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.905 HG12 ' O ' ' A' ' 29' ' ' GLN . 22.3 m -53.07 170.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -178.99 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -65.65 141.42 58.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.535 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 5.5 tp-100 -103.0 133.27 48.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -146.3 126.51 13.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.404 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -160.33 136.89 8.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -65.39 144.06 57.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.482 ' O ' HD11 ' A' ' 95' ' ' LEU . 19.2 mt-10 -40.21 149.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.62 22.86 77.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.401 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -118.34 -175.15 2.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.883 0.373 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.5 m -127.88 107.96 10.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.535 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -61.09 158.51 13.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.533 HG22 ' HG2' ' A' ' 65' ' ' GLN . 19.2 t -140.29 117.03 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.422 HD12 HD12 ' A' ' 64' ' ' LEU . 12.1 mt -116.07 119.17 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.905 ' O ' HG12 ' A' ' 15' ' ' VAL . 82.9 mt-30 -118.17 141.97 47.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 1.6 p -148.99 170.12 19.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.612 ' HG2' HD11 ' A' ' 12' ' ' ILE . 3.5 tp10 -126.23 159.72 32.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.6 mt -128.3 146.09 50.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.431 ' ND2' ' HG2' ' A' ' 10' ' ' ARG . 20.5 p-10 -64.29 -15.52 60.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.9 t -162.77 149.68 13.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.06 107.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.495 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -155.99 153.22 25.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 111.089 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 176.18 7.13 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.6 m -151.53 166.36 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.51 ' CG ' HG23 ' A' ' 46' ' ' THR . 11.5 tt0 -134.96 92.34 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.787 ' CD1' HD22 ' A' ' 55' ' ' LEU . 98.5 m95 -60.77 113.14 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.557 ' HE ' HG21 ' A' ' 80' ' ' VAL . 65.1 mtt-85 -101.9 -177.42 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 45' ' ' GLU . 28.2 tttt -169.69 137.48 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 34.56 39.93 0.17 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.509 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 t 73.99 42.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 110.831 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 42' ' ' LYS . 2.9 pt-20 -144.1 155.6 44.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.51 HG23 ' CG ' ' A' ' 39' ' ' GLU . 98.3 m -99.68 128.76 45.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.157 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.46 HD11 ' HB2' ' A' ' 42' ' ' LYS . 5.9 mt -103.35 169.01 8.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.401 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 17.4 mmm180 -148.96 146.34 27.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.18 135.78 57.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.12 -129.35 1.09 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -83.5 -55.14 4.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -76.56 -44.24 35.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -91.53 140.54 29.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.75 98.62 4.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.024 HD23 HD23 ' A' ' 64' ' ' LEU . 5.2 mt -98.12 122.48 41.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -128.18 125.27 38.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 24.0 tt0 -126.02 142.35 51.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -134.7 64.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.87 -92.91 1.49 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.5 p -105.86 -20.61 13.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.427 ' HG2' ' CD ' ' A' ' 31' ' ' GLU . 4.2 mtpm? -84.74 148.92 26.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.0 m -138.28 148.51 44.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -143.73 143.4 31.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.827 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.024 HD23 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -144.3 115.68 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.786 ' N ' HD22 ' A' ' 64' ' ' LEU . 38.3 mt-30 -104.78 148.72 26.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.7 mt -123.84 98.9 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -80.71 122.06 26.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.55 50.95 0.88 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.52 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.404 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 72.3 mt -69.11 141.01 54.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.16 159.98 35.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.405 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 11.1 mmt -42.21 -32.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.82 -44.85 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.8 -29.08 53.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.8 m -51.21 107.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.82 -143.13 3.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.514 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -131.35 133.16 45.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.45 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 23.3 m-85 -115.24 140.76 48.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m -130.95 120.45 23.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.9 t -92.61 104.7 16.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.557 HG21 ' HE ' ' A' ' 41' ' ' ARG . 2.3 t -92.82 145.51 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 27.6 p -118.62 -36.83 3.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 175.15 -62.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.503 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -105.35 -37.77 6.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.917 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -120.41 169.31 10.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.543 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 16.9 ptt-85 -159.21 162.48 36.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.4 t -109.79 179.82 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.86 145.25 15.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.594 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -161.42 117.65 2.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.058 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.33 138.36 58.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 tp -112.32 110.68 21.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.0 m -94.3 126.53 39.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.405 ' O ' ' CE ' ' A' ' 71' ' ' MET . 84.2 t -105.52 90.94 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -63.83 106.33 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.36 142.89 5.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.482 HD11 ' O ' ' A' ' 22' ' ' GLU . 19.1 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.666 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.786 0.327 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.494 ' CB ' ' OE2' ' A' ' 84' ' ' GLU . 17.1 ptt180 -118.29 132.62 56.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 70.9 m-85 -68.85 97.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.493 HD11 ' HG2' ' A' ' 31' ' ' GLU . 47.4 pt -66.64 -31.32 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -129.98 130.1 44.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -92.12 138.8 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.922 HG23 ' HB2' ' A' ' 88' ' ' ALA . 25.6 m -56.19 157.62 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -95.77 154.05 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -46.68 143.55 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.522 ' CG ' HD13 ' A' ' 90' ' ' LEU . 6.5 tp-100 -105.08 142.48 34.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -159.34 136.05 9.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.06 151.45 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -72.03 144.5 48.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.439 ' HG3' HG12 ' A' ' 92' ' ' VAL . 24.6 mt-10 -43.52 141.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.05 29.88 40.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.37 178.42 4.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 111.091 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.2 m -116.65 108.76 16.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.61 164.31 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.0 t -149.92 113.85 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.0 mt -114.07 117.1 30.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.825 ' O ' HG12 ' A' ' 15' ' ' VAL . 75.9 mt-30 -116.13 143.56 45.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.0 p -145.39 169.32 18.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.493 ' HG2' HD11 ' A' ' 12' ' ' ILE . 31.6 tt0 -132.72 142.64 49.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.411 HD21 ' CE1' ' A' ' 11' ' ' PHE . 9.4 mt -116.78 147.97 41.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.489 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -61.78 -22.58 65.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 35' ' ' ALA . 4.6 t -160.13 141.25 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.503 ' N ' HG22 ' A' ' 60' ' ' THR . . . -33.29 122.3 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 9' ' ' ALA . . . -165.88 149.88 7.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.603 0.716 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 177.0 6.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.326 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.8 m -155.51 158.61 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.662 ' CG ' HG23 ' A' ' 46' ' ' THR . 29.9 tt0 -133.46 84.03 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 96.5 m95 -53.7 117.7 3.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 45' ' ' GLU . 75.1 mtt180 -103.12 -178.06 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.589 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 8.4 tmtt? -164.48 128.22 2.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.42 45.68 0.98 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.5 t 71.93 50.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 41' ' ' ARG . 2.4 pt-20 -156.78 149.09 23.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.662 HG23 ' CG ' ' A' ' 39' ' ' GLU . 99.4 m -90.8 133.32 35.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.5 mt -98.44 170.77 8.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -150.26 147.45 27.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.514 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -75.98 115.42 15.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.4 -127.74 2.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.88 -51.91 6.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -80.02 -42.12 24.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -85.1 160.28 20.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -153.32 105.06 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HG ' HD23 ' A' ' 64' ' ' LEU . 6.7 mp -103.78 100.82 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 -102.83 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -171.65 137.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -128.79 75.34 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.0 -89.49 1.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.503 HG22 ' N ' ' A' ' 35' ' ' ALA . 62.5 p -110.04 -23.91 11.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 111.133 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -85.32 147.12 26.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.948 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 76.2 m -125.43 171.32 10.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -158.4 137.63 11.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.613 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.4 tm? -138.42 117.7 12.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.613 ' N ' HD22 ' A' ' 64' ' ' LEU . 20.6 mt-30 -107.91 139.47 42.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.1 mt -121.02 117.39 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -93.21 135.47 34.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.84 50.96 2.95 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.1 mt -66.69 107.06 2.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -124.6 164.96 18.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.481 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 10.5 mmt -45.37 -30.64 1.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.94 -44.2 73.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.53 -33.58 55.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.0 m -48.85 117.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -174.81 -134.29 1.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -140.8 116.39 10.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.589 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 18.8 m-85 -99.99 141.31 32.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -133.88 125.13 27.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.4 t -94.59 100.15 12.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.516 HG13 ' HE ' ' A' ' 85' ' ' ARG . 2.5 t -91.7 135.43 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.666 ' SG ' ' HB3' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -108.03 -46.01 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.12 -65.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -104.88 -40.5 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.494 ' OE2' ' CB ' ' A' ' 10' ' ' ARG . 6.0 pt-20 -117.75 169.91 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -160.78 169.0 23.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.1 t -118.43 -178.09 3.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.9 p -159.37 152.35 21.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.922 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -155.13 105.05 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.064 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 77.1 mmm -50.48 129.31 21.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.566 HD23 ' CE1' ' A' ' 77' ' ' TYR . 14.0 tp -108.17 119.5 39.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.7 m -107.2 119.7 40.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.481 ' O ' ' CE ' ' A' ' 71' ' ' MET . 85.8 t -102.42 88.12 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -59.77 107.78 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.02 142.94 28.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 72.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.587 0.708 . . . . 0.0 110.882 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 p -81.22 140.66 34.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.3 m 47.33 41.55 12.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.51 94.78 1.3 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -137.42 148.89 46.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -167.62 154.16 7.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.35 -98.92 0.2 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 159.01 55.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.728 2.285 . . . . 0.0 112.368 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.62 146.4 42.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.416 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 23.9 ptt180 -117.25 139.21 51.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 72.6 m-85 -68.52 96.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.579 HD11 ' HG2' ' A' ' 31' ' ' GLU . 35.4 pt -65.21 -31.35 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 12' ' ' ILE . 22.2 mt-10 -126.47 119.78 28.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.33 129.25 34.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.921 HG23 ' HB2' ' A' ' 88' ' ' ALA . 31.3 m -48.16 162.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -103.66 151.28 23.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -39.43 148.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -111.23 131.2 55.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -144.84 124.74 13.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.408 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -159.98 137.45 9.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -64.91 147.46 53.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -41.35 152.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.4 28.69 73.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.542 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.6 -174.96 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.0 m -126.6 102.62 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.59 164.33 9.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.433 HG22 ' HG2' ' A' ' 65' ' ' GLN . 48.8 t -148.91 108.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.66 HD12 HD12 ' A' ' 64' ' ' LEU . 10.4 mt -107.8 112.41 25.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.878 ' O ' HG12 ' A' ' 15' ' ' VAL . 86.5 mt-30 -116.38 147.08 41.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.404 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 1.4 p -148.11 179.91 7.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.579 ' HG2' HD11 ' A' ' 12' ' ' ILE . 25.5 tt0 -139.23 148.22 42.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 mt -122.73 151.78 41.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.416 ' ND2' ' HG2' ' A' ' 10' ' ' ARG . 44.9 p-10 -67.33 -21.51 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -153.08 149.29 27.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.37 113.49 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -158.36 150.64 17.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.587 0.708 . . . . 0.0 111.095 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 176.74 6.36 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.0 m -150.38 165.94 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.536 ' CG ' HG23 ' A' ' 46' ' ' THR . 34.8 tt0 -134.83 88.16 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.875 ' CD1' HD22 ' A' ' 55' ' ' LEU . 99.3 m95 -57.47 116.52 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.573 ' HE ' HG21 ' A' ' 80' ' ' VAL . 48.0 mtt-85 -103.24 -177.41 3.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.606 ' HB2' HD11 ' A' ' 47' ' ' LEU . 13.5 tmtt? -168.16 132.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.26 44.24 0.25 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.493 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.3 m 71.59 49.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -155.07 145.09 21.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.536 HG23 ' CG ' ' A' ' 39' ' ' GLU . 96.2 m -88.52 130.65 35.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 42' ' ' LYS . 11.0 mt -103.46 164.7 11.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -145.36 144.15 30.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.05 130.43 46.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.76 -125.07 0.77 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -89.46 -50.85 5.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -80.86 -40.31 25.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -95.98 140.05 31.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.01 99.95 4.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.045 HD23 HD23 ' A' ' 64' ' ' LEU . 5.3 mt -97.0 120.4 37.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -129.42 129.41 44.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 35.0 tt0 -121.98 144.29 48.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -132.01 75.19 1.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.53 -90.01 1.61 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.1 p -109.75 -22.82 11.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 111.126 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -86.46 152.08 22.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 79.9 m -128.98 172.45 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -160.83 147.3 15.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.045 HD23 HD23 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -150.41 121.05 7.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.847 ' N ' HD22 ' A' ' 64' ' ' LEU . 20.9 mt-30 -108.04 145.85 33.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.1 mt -123.93 96.74 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -80.6 126.59 31.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.73 41.93 2.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.408 HD13 ' HB3' ' A' ' 20' ' ' ALA . 53.9 mt -61.51 123.03 16.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.98 169.44 17.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 7.6 mmt -49.75 -46.05 50.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.63 84.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.14 -34.72 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.434 HG23 ' HA ' ' A' ' 91' ' ' THR . 38.5 m -46.34 100.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.499 ' O ' ' CE ' ' A' ' 89' ' ' MET . . . -158.13 -154.27 7.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -117.93 124.83 49.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.368 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.76 ' CE1' HD23 ' A' ' 90' ' ' LEU . 17.9 m-85 -108.39 139.54 42.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -133.29 130.04 38.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.521 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 6.0 t -101.02 105.34 16.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.573 HG21 ' HE ' ' A' ' 41' ' ' ARG . 1.6 t -96.37 139.46 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 1.7 p -131.04 17.12 5.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.99 -100.86 0.2 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -98.06 -33.21 11.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.559 ' OE2' ' CD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -105.12 167.44 9.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.57 ' HB3' HG13 ' A' ' 80' ' ' VAL . 8.2 ptt180 -163.72 159.97 22.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.402 ' OG1' ' N ' ' A' ' 87' ' ' SER . 5.7 t -106.55 179.62 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.402 ' N ' ' OG1' ' A' ' 86' ' ' THR . 0.9 OUTLIER -158.27 139.53 13.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.838 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.921 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -148.37 108.28 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -53.75 128.2 28.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.76 HD23 ' CE1' ' A' ' 77' ' ' TYR . 10.2 tp -109.37 108.95 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.434 ' HA ' HG23 ' A' ' 74' ' ' THR . 40.3 m -100.58 125.55 46.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.495 ' O ' ' CE ' ' A' ' 71' ' ' MET . 87.5 t -101.98 91.22 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.8 mmm-85 -64.36 104.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.67 131.1 25.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.81 152.69 75.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 103.95 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.668 2.245 . . . . 0.0 112.318 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 29.6 mt -44.9 131.26 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -85.49 41.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -56.25 123.96 16.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.8 p -88.84 112.06 22.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -75.22 141.06 43.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.0 p -109.61 113.92 27.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.72 81.92 0.33 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 0.57 5.43 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.712 2.274 . . . . 0.0 112.355 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.3 t 71.57 44.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.1 t -115.18 -42.03 3.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -114.62 -52.34 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.373 . . . . 0.0 110.89 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.8 p -49.16 -23.22 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.71 179.46 16.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 p -137.01 159.25 42.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -40.03 -56.77 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.0 -147.38 3.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 159.08 54.77 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.249 . . . . 0.0 112.313 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.94 138.41 51.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -115.77 145.44 42.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 96.6 m-85 -71.03 104.22 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 pt -72.22 -27.69 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -127.8 116.34 20.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.43 128.94 34.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.84 HG12 ' O ' ' A' ' 29' ' ' GLN . 30.7 m -47.91 163.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -103.18 148.51 25.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -40.42 147.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.476 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.6 tp-100 -108.18 149.1 28.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -158.32 132.03 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -172.17 137.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -65.45 150.48 48.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HG3' HG12 ' A' ' 92' ' ' VAL . 13.6 mt-10 -44.9 148.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.55 24.19 75.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.12 -175.43 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.8 m -126.1 105.09 8.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -66.06 160.35 24.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.492 HG22 ' HG2' ' A' ' 65' ' ' GLN . 17.6 t -143.87 116.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.1 mt -115.26 117.24 29.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.84 ' O ' HG12 ' A' ' 15' ' ' VAL . 78.9 mt-30 -117.11 142.25 47.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.45 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 1.8 p -142.35 -175.17 4.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -146.89 154.55 41.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mt -131.86 151.81 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.436 ' C ' ' OD1' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -66.67 -24.69 66.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -150.23 145.17 26.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.06 118.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.472 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -161.4 149.61 12.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.553 0.692 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 177.16 5.88 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.4 m -152.09 163.02 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.667 ' CG ' HG23 ' A' ' 46' ' ' THR . 31.9 tt0 -133.53 85.79 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 97.7 m95 -57.33 116.93 3.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.5 ' NE ' HG21 ' A' ' 80' ' ' VAL . 59.7 mtt180 -103.78 -176.88 3.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.586 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 11.4 tmtt? -165.81 129.66 2.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.16 41.48 0.49 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t 75.04 48.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.332 . . . . 0.0 110.814 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -155.03 135.13 13.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.667 HG23 ' CG ' ' A' ' 39' ' ' GLU . 80.2 m -79.31 131.13 36.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.2 mt -99.62 166.72 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -145.13 154.21 42.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.563 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -75.28 135.39 40.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.87 -137.05 2.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -76.76 -58.66 3.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.9 mtt85 -71.59 -45.1 63.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -90.81 157.4 17.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -151.56 106.52 3.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.563 HD13 ' CA ' ' A' ' 49' ' ' ASP . 6.8 mp -99.6 101.68 12.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -108.41 116.49 32.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 36.7 tt0 -115.71 140.18 49.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -128.74 76.33 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.0 -88.8 1.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 39.2 p -109.8 -25.45 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 111.14 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -84.05 144.19 29.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 55.8 m -125.71 159.33 32.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -148.33 134.56 19.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.8 tm? -131.86 117.55 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.539 ' N ' HD22 ' A' ' 64' ' ' LEU . 33.1 mt-30 -110.6 133.72 53.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.7 mt -115.53 100.47 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -84.18 124.36 31.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.83 44.37 2.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.3 mt -57.47 152.57 14.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -160.66 165.28 30.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.437 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 13.1 mmt -47.96 -50.72 26.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.4 -43.83 68.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.73 -27.82 43.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.4 m -55.37 108.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.03 -131.71 1.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -136.65 135.05 37.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.378 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.632 ' CE1' HD23 ' A' ' 90' ' ' LEU . 26.3 m-85 -114.79 138.2 51.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -128.93 123.92 33.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.409 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 3.2 t -96.53 100.12 11.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.5 HG21 ' NE ' ' A' ' 41' ' ' ARG . 2.4 t -88.11 140.21 16.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 24.3 p -112.53 -36.39 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 173.11 -58.67 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -106.17 -36.14 6.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -129.05 170.94 12.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.548 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -156.93 171.12 21.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 87' ' ' SER . 5.4 t -114.31 -178.4 3.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.429 ' N ' ' OG1' ' A' ' 86' ' ' THR . 1.3 p -156.43 141.6 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.821 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -153.06 119.45 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 80.1 mmm -65.95 137.03 56.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.632 HD23 ' CE1' ' A' ' 77' ' ' TYR . 10.3 tp -117.76 116.28 26.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 77.8 m -102.31 126.37 49.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.449 HG12 ' HG3' ' A' ' 22' ' ' GLU . 96.6 t -105.31 94.85 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -64.88 102.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.93 140.86 3.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.3 mt -61.67 152.8 73.86 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 100.68 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.512 ' H ' HD12 ' A' ' 97' ' ' ILE . 4.0 mp -54.41 -53.0 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 97' ' ' ILE . 53.7 mttm -35.77 -61.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -78.36 115.63 18.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.7 t -82.14 39.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -163.93 175.97 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.3 t -123.03 101.38 7.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 177.16 145.79 5.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 105' ' ' SER . 53.2 Cg_endo -69.84 -27.47 26.07 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 104' ' ' PRO . 27.9 t -35.33 115.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.7 t -115.16 -47.25 2.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.505 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t 53.79 42.12 31.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.387 . . . . 0.0 110.885 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -87.83 -48.0 8.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.42 92.13 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 t 56.49 41.74 28.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.81 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 p -52.94 -58.11 8.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.69 -176.69 22.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 159.1 54.65 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.332 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.59 140.97 49.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.46 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 8.6 ptp180 -112.95 137.31 51.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.579 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 76.6 m-85 -66.15 99.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.615 HD11 ' HG2' ' A' ' 31' ' ' GLU . 45.2 pt -65.63 -32.53 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.442 ' N ' HG13 ' A' ' 12' ' ' ILE . 4.5 mm-40 -124.94 133.64 52.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.08 127.85 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.884 HG12 ' O ' ' A' ' 29' ' ' GLN . 23.7 m -47.68 159.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -94.62 155.25 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -52.89 123.77 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -79.65 134.63 36.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -150.88 116.17 5.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.3 140.32 19.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -65.55 149.23 50.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -45.72 145.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.18 31.86 61.02 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -123.5 -175.9 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.361 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.2 m -123.07 108.57 13.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.471 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -71.83 157.14 38.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.59 HG22 ' HG2' ' A' ' 65' ' ' GLN . 58.5 t -139.78 110.11 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 6.7 mt -107.05 108.73 20.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.884 ' O ' HG12 ' A' ' 15' ' ' VAL . 84.1 mt-30 -113.33 146.1 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 p -145.26 -178.44 6.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.615 ' HG2' HD11 ' A' ' 12' ' ' ILE . 19.3 tt0 -140.64 156.31 46.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.4 mt -129.57 154.28 47.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.46 ' ND2' ' HG2' ' A' ' 10' ' ' ARG . 39.3 p-10 -71.37 -19.3 62.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.8 t -153.03 143.17 22.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.01 112.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -162.18 150.72 12.49 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.549 0.69 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 174.85 8.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.435 HG12 ' HB3' ' A' ' 81' ' ' CYS . 33.3 m -155.17 177.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.493 ' HG2' HG23 ' A' ' 46' ' ' THR . 2.7 tp10 -141.5 125.45 17.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.707 ' CD1' HD22 ' A' ' 55' ' ' LEU . 91.7 m95 -90.58 110.72 21.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.421 ' NE ' HG21 ' A' ' 80' ' ' VAL . 52.0 mtt180 -97.35 -174.99 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 43' ' ' GLY . 34.1 tttt -167.3 130.4 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 34.33 43.64 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m 73.88 49.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.867 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 42' ' ' LYS . 2.9 pt-20 -155.08 132.53 11.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.493 HG23 ' HG2' ' A' ' 39' ' ' GLU . 93.8 m -81.76 130.6 35.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' A' ' 42' ' ' LYS . 9.8 mt -102.22 174.28 5.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -149.19 151.1 33.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.57 136.76 53.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -168.59 -129.79 1.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -83.0 -58.14 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -71.73 -44.67 63.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -93.99 140.26 29.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -134.42 98.38 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.853 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.943 HD23 HD23 ' A' ' 64' ' ' LEU . 7.1 mt -91.05 118.54 30.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 54' ' ' SER . 0.9 OUTLIER -122.99 129.31 51.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -123.55 142.27 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -133.82 75.28 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.12 -89.63 1.62 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.445 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.5 p -110.67 -24.4 10.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 0.0 111.099 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -85.91 145.05 27.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.7 m -121.87 173.7 7.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 64' ' ' LEU . 45.6 tt0 -158.31 154.36 26.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.943 HD23 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -157.33 110.18 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.632 ' N ' HD22 ' A' ' 64' ' ' LEU . 35.7 mt-30 -98.45 150.91 21.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 26.2 mt -126.81 100.92 6.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -84.35 123.53 30.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.99 47.72 1.32 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.527 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.2 mt -66.25 143.33 57.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -160.35 157.44 27.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 13.4 mmt -38.8 -39.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.77 -45.64 85.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' ALA . 0.7 OUTLIER -52.09 -34.43 43.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.9 m -47.42 107.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.48 -136.65 2.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -135.38 129.52 33.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.876 0.37 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.425 ' CE1' HD23 ' A' ' 90' ' ' LEU . 17.9 m-85 -113.61 137.94 50.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 m -131.51 125.1 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.4 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 t -96.61 102.08 13.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.421 HG21 ' NE ' ' A' ' 41' ' ' ARG . 2.7 t -90.72 133.53 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.579 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 23.1 p -107.71 -18.97 13.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.02 -68.89 0.31 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -94.87 -41.48 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 110.921 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -121.08 168.23 11.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.536 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 3.6 ptt85 -157.23 164.02 38.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.6 t -115.78 -175.63 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 p -159.39 147.17 17.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.874 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -153.02 109.84 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 72.0 mmm -61.16 114.65 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.488 HD13 ' HB3' ' A' ' 18' ' ' GLN . 6.0 tp -92.72 114.87 27.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.2 m -104.06 127.38 51.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.495 ' O ' ' CE ' ' A' ' 71' ' ' MET . 98.6 t -105.58 103.47 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -73.38 105.94 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -43.09 141.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.0 mt -65.65 155.89 84.51 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.634 0.731 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 100.47 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 mt -50.02 -38.29 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.92 173.14 7.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.446 ' CE1' ' OE1' ' A' ' 101' ' ' GLU . 3.1 t80 -121.6 119.88 33.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 59.1 p -156.81 121.11 4.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.446 ' OE1' ' CE1' ' A' ' 99' ' ' PHE . 7.4 pt-20 -151.06 126.55 10.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.8 p -129.85 123.97 32.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -60.56 -122.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.555 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -177.72 2.01 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.5 p -113.93 121.66 44.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.1 m -40.13 122.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 1' ' ' GLY . 84.6 p 34.99 41.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.842 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -119.92 41.88 3.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.36 -85.63 0.2 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -70.11 108.81 4.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 0.0 110.893 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -71.48 89.52 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.23 -145.6 4.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 159.37 53.64 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.97 152.96 21.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -128.93 132.85 47.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.602 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 92.5 m-85 -64.89 100.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 13' ' ' GLU . 44.6 pt -66.96 -33.06 60.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.457 ' N ' HG13 ' A' ' 12' ' ' ILE . 8.6 mm-40 -126.18 121.87 34.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -84.74 137.07 33.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.878 HG12 ' O ' ' A' ' 29' ' ' GLN . 12.0 m -58.39 156.2 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' ASN . 23.1 mmtp -97.0 147.43 24.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER -35.66 149.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.48 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.6 tp-100 -111.65 117.15 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.18 134.64 50.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -174.42 151.19 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.716 ' HD2' HD23 ' A' ' 95' ' ' LEU . 14.7 mtm180 -71.81 173.15 8.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.455 ' O ' HD11 ' A' ' 95' ' ' LEU . 12.9 mt-10 -67.12 159.65 28.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.55 16.66 51.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.503 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -103.17 -175.1 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 111.117 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.7 m -125.79 106.75 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.48 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -70.34 158.26 36.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.59 HG22 ' HG2' ' A' ' 65' ' ' GLN . 21.4 t -140.97 116.32 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 mt -115.49 109.28 17.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.878 ' O ' HG12 ' A' ' 15' ' ' VAL . 75.2 mt-30 -109.73 145.92 35.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.482 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 2.6 p -144.65 -177.46 5.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -143.56 159.04 43.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 mt -131.0 155.32 47.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -20.14 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -151.02 144.36 24.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.46 112.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -162.17 152.88 14.61 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.58 0.705 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 173.98 10.21 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.324 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.2 m -153.17 179.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.469 ' CD ' ' N ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -146.21 125.53 13.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.781 ' CD1' HD22 ' A' ' 55' ' ' LEU . 89.0 m95 -91.9 112.09 23.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.433 ' HD2' ' CG2' ' A' ' 80' ' ' VAL . 47.7 mtt180 -100.08 -175.69 3.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.519 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 19.9 tttt -170.55 119.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 45.46 43.8 10.74 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.471 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.2 t 71.57 45.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.887 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -148.02 133.48 18.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.402 HG23 ' CD ' ' A' ' 39' ' ' GLU . 86.8 m -86.19 123.73 31.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.4 ' C ' ' HG2' ' A' ' 48' ' ' ARG . 6.1 mt -97.49 169.41 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.4 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 13.9 mmm180 -147.24 147.91 30.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.9 135.64 57.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -168.21 -128.85 1.03 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -83.59 -56.56 3.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.747 0.308 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -74.98 -44.82 46.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -91.29 139.75 30.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.95 97.93 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.03 HD23 HD23 ' A' ' 64' ' ' LEU . 5.7 mt -94.76 123.96 38.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -130.33 122.23 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.411 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 45.0 tt0 -115.4 139.81 49.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -130.14 74.03 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.09 -90.58 1.65 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.2 p -110.44 -21.59 12.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 111.163 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -86.79 154.17 21.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 38.3 m -133.92 168.64 18.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -160.95 136.65 8.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.03 HD23 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -136.41 115.26 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.727 ' N ' HD22 ' A' ' 64' ' ' LEU . 43.9 mt-30 -101.43 141.82 33.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.0 mt -117.57 100.08 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -85.53 120.9 27.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.27 47.8 1.04 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 24' ' ' ALA . 37.2 mt -63.16 151.6 39.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.346 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -162.21 145.73 11.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.734 ' SD ' ' HB2' ' A' ' 94' ' ' ALA . 60.2 mmm -38.73 -31.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.28 -41.54 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' ALA . 75.0 m-20 -54.76 -22.59 14.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.3 m -53.2 104.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.54 -135.34 1.9 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -139.13 131.47 28.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.704 ' CE1' HD23 ' A' ' 90' ' ' LEU . 12.2 m-85 -114.86 144.21 43.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -135.54 129.19 32.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.852 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.602 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 1.9 t -98.72 101.3 12.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.477 HG12 ' H ' ' A' ' 82' ' ' GLY . 2.1 t -88.06 147.95 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 10.6 p -133.16 15.21 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.477 ' H ' HG12 ' A' ' 80' ' ' VAL . . . 132.81 -82.01 0.31 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -99.87 -45.39 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.317 . . . . 0.0 110.933 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -100.68 166.66 10.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.578 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 9.5 ptt180 -164.04 153.82 14.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.809 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.9 t -106.61 177.77 4.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 p -158.94 147.11 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.815 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -156.53 109.68 2.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.069 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 77.3 mmm -50.73 140.8 14.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.704 HD23 ' CE1' ' A' ' 77' ' ' TYR . 12.3 tp -119.2 109.17 15.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.8 m -98.61 127.54 44.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.6 t -108.83 105.97 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -77.9 111.51 13.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.734 ' HB2' ' SD ' ' A' ' 71' ' ' MET . . . -50.64 138.86 17.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.075 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.716 HD23 ' HD2' ' A' ' 21' ' ' ARG . 22.3 mt -85.22 158.33 58.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.561 0.696 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 104.32 1.31 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.64 2.226 . . . . 0.0 112.314 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.0 mt -73.58 127.43 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -52.14 142.28 16.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -155.88 149.86 25.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.0 m -159.84 132.09 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -150.09 172.57 15.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 85.8 p -118.45 144.61 45.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.64 -169.2 20.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.449 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 159.69 52.43 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.268 . . . . 0.0 112.328 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.8 m -108.23 -50.07 3.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.7 m 59.16 43.38 17.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t 60.54 42.2 14.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -94.56 112.69 24.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.7 -170.04 36.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -130.64 -49.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.8 t -66.0 119.67 11.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.25 -95.6 0.12 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 162.27 42.72 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.47 126.96 41.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -104.26 159.48 15.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.569 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 82.5 m-85 -83.24 99.6 10.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 13' ' ' GLU . 44.1 pt -67.51 -32.07 55.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.147 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 12' ' ' ILE . 25.0 mt-10 -121.44 129.56 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.18 131.94 37.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.996 HG12 ' O ' ' A' ' 29' ' ' GLN . 32.8 m -55.83 161.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -102.27 148.37 25.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.51 146.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.518 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.9 tp-100 -108.65 143.39 37.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -159.3 125.92 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.7 145.56 17.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -67.19 149.78 49.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -45.5 152.26 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.48 29.15 72.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.439 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.15 -179.16 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.9 m -123.61 108.31 12.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.518 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -64.41 163.63 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.035 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.642 HG22 ' HG2' ' A' ' 65' ' ' GLN . 98.3 t -144.98 115.67 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.584 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 9.5 mt -114.7 113.83 24.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.996 ' O ' HG12 ' A' ' 15' ' ' VAL . 78.6 mt-30 -113.92 143.73 44.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.467 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 8.1 p -145.01 -178.97 6.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -139.54 154.87 47.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.0 mt -129.88 150.99 50.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -63.17 -24.89 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 t -154.28 140.99 19.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.583 ' N ' HG22 ' A' ' 60' ' ' THR . . . -38.75 118.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.483 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -163.12 151.23 11.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.603 0.716 . . . . 0.0 111.071 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 178.68 4.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.3 m -154.44 163.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.663 ' CG ' HG23 ' A' ' 46' ' ' THR . 30.0 tt0 -134.84 90.18 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.584 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 95.5 m95 -61.06 112.34 2.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -101.55 -178.07 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.543 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 5.4 tttm -167.63 133.07 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 32.36 52.55 0.42 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.2 m 63.65 51.43 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -156.15 135.45 12.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.663 HG23 ' CG ' ' A' ' 39' ' ' GLU . 99.2 m -85.19 131.83 34.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 mt -99.81 162.83 12.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -142.01 153.03 43.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.47 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -72.42 141.18 48.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.46 -142.48 3.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -75.42 -52.24 11.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -78.2 -42.3 31.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -94.39 156.94 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -149.65 105.0 3.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.47 HD13 ' N ' ' A' ' 49' ' ' ASP . 7.5 mp -102.17 98.19 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -98.83 176.79 5.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 40.0 tt0 -171.31 140.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -131.04 77.12 1.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.32 -91.65 1.71 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.583 HG22 ' N ' ' A' ' 35' ' ' ALA . 28.3 p -108.13 -24.57 11.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.821 0.343 . . . . 0.0 111.162 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -83.6 155.24 23.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 50.8 m -129.2 175.42 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -162.06 137.26 7.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.621 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.5 tm? -137.67 119.4 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.642 ' HG2' HG22 ' A' ' 27' ' ' VAL . 33.2 mt-30 -110.87 138.88 46.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.6 mt -118.95 96.12 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -78.91 126.57 30.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.56 48.36 1.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.531 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 mt -64.99 148.19 52.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.8 161.47 26.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.6 mmt -42.05 -39.64 2.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.39 -45.86 82.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -34.01 46.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.7 m -48.83 105.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.07 -146.23 4.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -126.99 130.57 50.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.543 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 21.2 m-85 -113.89 140.69 48.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.7 m -131.9 117.3 18.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.1 t -86.95 104.79 16.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.413 ' HA ' ' CB ' ' A' ' 85' ' ' ARG . 2.6 t -95.38 129.67 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.569 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 21.1 p -101.99 -23.86 14.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 160.31 -65.87 0.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.448 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -97.88 -40.19 8.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 110.935 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 1.2 pm0 -123.71 171.91 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.567 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -160.41 168.76 24.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.2 t -116.59 -175.36 2.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.0 p -159.44 148.39 18.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.659 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -158.97 110.57 2.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 72.4 mmm -57.04 133.89 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.43 HD23 ' CE1' ' A' ' 77' ' ' TYR . 9.6 tp -114.31 117.35 30.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.0 m -103.87 128.03 51.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.7 t -105.64 89.98 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -60.52 110.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.42 127.44 32.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.9 mt -62.28 141.31 96.25 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.635 0.731 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 106.79 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.34 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 73.7 mt -81.73 -52.0 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 99' ' ' PHE . 12.6 ptpt -98.9 -36.29 9.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.417 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 33.3 t80 -48.14 134.92 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.5 m -131.79 126.23 33.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.87 112.38 1.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -152.47 164.25 37.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -113.12 -170.12 17.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 168.98 20.02 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.8 t -82.88 93.28 7.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 t -106.13 115.9 31.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.471 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 p -73.29 147.28 44.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.877 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -168.71 171.49 8.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.23 -48.87 0.94 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 p -87.66 -51.25 5.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.828 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 p -136.5 132.45 35.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.45 158.2 17.13 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 158.95 55.26 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.61 132.19 45.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.534 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 20.1 ptt180 -113.28 146.51 39.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.58 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 86.4 m-85 -76.92 93.52 3.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 33' ' ' ASN . 42.4 pt -64.91 -31.14 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.425 ' N ' HG13 ' A' ' 12' ' ' ILE . 26.5 mt-10 -124.73 120.99 33.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.64 132.69 34.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.87 HG23 ' HB2' ' A' ' 88' ' ' ALA . 24.9 m -51.31 160.02 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -98.07 148.22 23.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -43.62 139.49 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.562 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.8 tp-100 -99.16 144.61 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -157.74 130.18 7.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.31 137.98 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 ptt-85 -62.16 152.17 33.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.07 152.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.56 28.3 73.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.76 -174.9 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.0 m -127.03 107.47 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.562 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -71.9 157.07 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.628 HG22 ' HG2' ' A' ' 65' ' ' GLN . 31.6 t -140.26 117.62 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.586 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.2 mt -113.64 118.93 35.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.753 ' O ' HG12 ' A' ' 15' ' ' VAL . 77.5 mt-30 -119.86 140.99 49.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 3.7 p -142.22 -179.06 6.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -143.47 159.46 42.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.425 HD21 ' CE1' ' A' ' 11' ' ' PHE . 8.3 mt -134.1 146.3 50.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.534 ' ND2' ' H ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -67.51 -15.12 63.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.3 p -149.42 137.91 20.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.483 ' N ' HG22 ' A' ' 60' ' ' THR . . . -51.74 113.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -161.76 153.77 16.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.649 0.738 . . . . 0.0 111.095 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 53.7 Cg_endo -69.71 174.16 9.88 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.442 HG12 ' HB3' ' A' ' 81' ' ' CYS . 32.3 m -157.36 176.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -142.71 128.57 19.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.586 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 95.3 m95 -92.52 111.12 22.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.782 ' CZ ' HG21 ' A' ' 80' ' ' VAL . 56.9 mtt180 -97.8 -179.64 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.586 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 6.2 tmtt? -162.62 135.09 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 34.35 40.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.5 t 74.95 47.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.353 . . . . 0.0 110.835 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 42' ' ' LYS . 2.8 pt-20 -150.61 149.97 30.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.9 m -92.28 124.22 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.9 mt -91.26 165.67 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -141.64 145.68 35.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.462 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -69.63 136.6 51.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.13 -142.5 3.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -72.83 -56.17 5.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -74.1 -45.4 49.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -92.89 154.3 18.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.9 m -147.97 105.02 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.462 HD13 ' CA ' ' A' ' 49' ' ' ASP . 7.6 mp -99.81 103.63 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.8 mtp-105 -108.2 171.9 7.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -172.34 143.91 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -134.65 82.01 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.6 -91.43 1.56 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.483 HG22 ' N ' ' A' ' 35' ' ' ALA . 20.2 p -108.86 -24.33 11.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 111.115 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -81.91 152.65 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.6 m -129.79 170.47 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -159.83 137.17 9.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.755 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.2 tm? -142.8 123.56 14.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.755 ' N ' HD22 ' A' ' 64' ' ' LEU . 24.9 mt-30 -114.11 151.76 32.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.4 mt -128.76 92.8 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 -77.47 126.55 31.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.64 42.69 2.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.8 mt -58.7 149.01 27.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.945 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.549 ' HB3' ' OD1' ' A' ' 73' ' ' ASP . . . -161.66 159.45 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.6 mmt -39.67 -50.27 2.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.96 -48.04 70.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.549 ' OD1' ' HB3' ' A' ' 70' ' ' ALA . 0.6 OUTLIER -47.44 -38.65 13.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.0 m -46.15 107.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.7 -125.0 0.74 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -145.43 131.01 18.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.634 ' CE1' HD23 ' A' ' 90' ' ' LEU . 38.4 m-85 -115.97 136.32 53.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 86' ' ' THR . 3.5 m -129.97 127.78 40.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.6 t -99.57 103.27 14.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.782 HG21 ' CZ ' ' A' ' 41' ' ' ARG . 2.1 t -87.57 151.76 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.58 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 25.1 p -127.15 -40.38 1.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -177.48 -69.45 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -102.89 -37.74 7.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -119.4 162.55 18.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 20.7 ptt-85 -149.77 162.17 40.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.43 HG21 HG13 ' A' ' 15' ' ' VAL . 6.0 t -112.2 167.54 10.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 p -146.34 151.2 37.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.87 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -159.2 111.45 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 81.0 mmm -58.83 134.79 57.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.634 HD23 ' CE1' ' A' ' 77' ' ' TYR . 10.9 tp -114.52 117.59 31.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.5 m -104.82 125.19 50.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.2 t -104.24 93.01 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -62.81 107.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.16 135.44 25.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.8 mt -50.81 154.55 2.36 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.549 0.69 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 103.94 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.736 2.291 . . . . 0.0 112.318 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.3 mt -58.95 -60.57 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -95.99 176.82 5.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -81.62 129.66 34.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.2 p -54.27 127.74 28.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -136.28 139.4 42.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.3 t -118.47 112.15 19.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 178.14 -160.45 26.69 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 97.14 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.726 2.284 . . . . 0.0 112.302 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.7 t -104.95 170.48 7.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.3 m -113.25 91.84 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -58.14 129.21 40.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.378 . . . . 0.0 110.867 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -88.03 -49.75 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.824 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.72 159.35 20.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -103.42 146.93 27.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 m -138.47 140.2 39.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.812 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.35 94.24 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.93 36.39 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.04 141.23 34.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.5 ptt85 -117.99 139.02 51.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 75.9 m-85 -65.45 105.24 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.442 ' CG2' ' HB3' ' A' ' 33' ' ' ASN . 35.8 pt -71.05 -31.72 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.439 ' N ' HG13 ' A' ' 12' ' ' ILE . 25.7 mm-40 -129.5 128.7 43.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.64 133.39 34.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.951 HG23 ' HB2' ' A' ' 88' ' ' ALA . 31.0 m -54.69 162.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -99.45 149.24 23.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -45.83 134.04 8.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.569 ' HB3' HD13 ' A' ' 90' ' ' LEU . 5.5 tp-100 -90.31 138.07 31.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -151.38 130.67 12.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.468 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -166.8 154.47 9.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -76.51 146.96 38.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.421 ' HG3' HG12 ' A' ' 92' ' ' VAL . 23.6 mt-10 -44.58 139.85 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.71 30.55 35.56 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.455 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -119.83 -175.27 2.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.823 0.344 . . . . 0.0 111.135 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.2 m -123.9 100.21 6.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.537 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -56.55 156.32 6.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.542 HG22 ' HG2' ' A' ' 65' ' ' GLN . 81.7 t -144.93 108.46 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.0 mt -108.4 115.17 29.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.907 ' O ' HG12 ' A' ' 15' ' ' VAL . 69.1 mt-30 -113.44 145.0 41.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.433 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 6.1 p -146.12 -177.23 5.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.408 ' HG2' HD11 ' A' ' 12' ' ' ILE . 18.5 tt0 -145.82 149.26 33.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mt -121.99 154.99 36.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.442 ' HB3' ' CG2' ' A' ' 12' ' ' ILE . 27.1 p-10 -69.47 -22.31 63.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.432 ' C ' HG22 ' A' ' 60' ' ' THR . 7.8 t -151.98 150.67 30.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.36 114.89 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.71 151.39 10.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 172.01 13.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.8 m -151.85 173.98 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.482 ' CD ' ' N ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -141.4 126.15 18.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.539 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 95.9 m95 -93.89 110.51 22.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.455 ' HE ' HG21 ' A' ' 80' ' ' VAL . 29.2 mtt-85 -100.75 -175.83 3.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.503 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 7.3 tttm -169.63 128.17 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 40.21 49.25 3.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m 64.65 52.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -157.25 139.05 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -87.39 127.57 35.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 mt -93.73 162.72 13.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -137.89 143.83 41.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.46 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -67.74 128.1 35.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.86 -143.15 3.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -72.55 -50.76 23.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -80.12 -40.52 27.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -96.03 147.89 23.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -141.76 105.02 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.46 HD13 ' CA ' ' A' ' 49' ' ' ASP . 7.5 mp -101.92 100.6 10.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -105.09 175.63 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -169.29 142.68 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -131.69 75.9 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.61 -88.02 1.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.432 HG22 ' C ' ' A' ' 34' ' ' SER . 6.6 p -111.32 -24.98 9.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.145 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -83.93 148.97 26.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.9 m -124.29 172.19 9.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -162.83 130.35 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.637 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.4 tm? -131.59 118.51 20.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.637 ' N ' HD22 ' A' ' 64' ' ' LEU . 21.1 mt-30 -106.73 140.41 39.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.2 mt -122.37 106.95 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -83.33 138.21 33.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.21 46.6 4.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.537 HD21 ' HB2' ' A' ' 26' ' ' ALA . 42.4 mt -64.19 105.2 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -123.46 171.92 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.112 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.479 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 10.4 mmt -53.53 -33.04 53.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.14 -42.4 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -31.52 69.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.9 m -49.08 102.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.501 ' O ' ' CE ' ' A' ' 89' ' ' MET . . . -159.8 -157.14 8.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -115.54 124.02 49.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.503 ' CZ ' ' HG3' ' A' ' 42' ' ' LYS . 8.8 m-85 -108.07 142.86 37.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -133.17 125.64 29.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.402 ' HB3' HG22 ' A' ' 86' ' ' THR . 3.4 t -95.39 107.04 19.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.455 HG21 ' HE ' ' A' ' 41' ' ' ARG . 2.0 t -94.96 134.99 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.099 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 25.2 p -119.27 24.51 10.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 128.31 -77.57 0.39 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -107.65 -44.2 4.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -100.94 170.64 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -166.01 165.33 18.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 87' ' ' SER . 7.8 t -113.39 -175.45 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.418 ' N ' ' OG1' ' A' ' 86' ' ' THR . 1.4 p -158.19 146.32 18.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.951 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -154.82 106.37 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.087 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.501 ' CE ' ' O ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -54.87 122.23 10.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 18' ' ' GLN . 9.5 tp -102.42 112.84 25.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.8 m -105.35 125.2 50.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.479 ' O ' ' CE ' ' A' ' 71' ' ' MET . 99.0 t -104.04 96.02 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -62.97 110.92 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.66 126.26 26.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.7 mt -56.78 154.57 17.71 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.62 0.724 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 98.93 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 34.7 mt -60.69 -63.21 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 99' ' ' PHE . 1.4 tmmt? -155.83 137.53 14.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 98' ' ' LYS . 56.1 m-85 -37.07 109.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 100' ' ' THR . 9.6 t -109.33 109.21 20.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -173.94 147.89 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.7 m -46.64 -59.58 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.22 -154.43 16.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 100.4 0.82 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.71 2.274 . . . . 0.0 112.351 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.1 t -66.65 124.66 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.1 p -74.11 134.29 42.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.516 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -125.52 99.76 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 m -121.56 124.98 45.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.95 163.02 13.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 p -74.02 127.66 33.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -165.84 150.85 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.95 -118.8 4.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 159.18 54.33 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.709 2.272 . . . . 0.0 112.347 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.24 137.72 49.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -114.45 141.82 47.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 87.0 m-85 -72.54 96.77 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.557 HD11 ' HG2' ' A' ' 31' ' ' GLU . 45.7 pt -65.35 -32.03 56.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -128.08 116.39 19.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -80.97 134.02 35.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.866 HG23 ' HB2' ' A' ' 88' ' ' ALA . 26.0 m -53.24 160.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -101.9 146.51 27.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -40.13 140.87 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.2 tp-100 -98.32 146.81 25.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -159.16 126.17 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.446 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -161.26 147.32 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.3 mtt-85 -72.67 148.73 44.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -43.86 144.57 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.85 30.15 56.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.414 ' C ' HD12 ' A' ' 69' ' ' LEU . . . -123.19 -179.72 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -123.59 106.4 10.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.469 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -60.89 159.68 10.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.403 HG22 ' HG2' ' A' ' 65' ' ' GLN . 3.7 t -144.73 106.9 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.545 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.1 mt -104.21 114.66 29.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.768 ' O ' HG12 ' A' ' 15' ' ' VAL . 84.7 mt-30 -114.65 137.92 51.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.476 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 2.3 p -140.4 178.14 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.557 ' HG2' HD11 ' A' ' 12' ' ' ILE . 28.2 tt0 -141.41 148.99 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.6 mt -120.9 154.26 36.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.421 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -71.07 -20.16 62.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.6 t -153.11 146.75 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.46 115.51 1.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.68 148.92 9.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 175.84 7.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.262 . . . . 0.0 112.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -151.2 -179.33 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -157.06 105.85 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.545 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 76.1 m95 -74.44 131.16 40.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.522 ' HE ' HG21 ' A' ' 80' ' ' VAL . 35.2 mtt-85 -116.88 178.8 4.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.587 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 9.1 tttp -156.75 105.03 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.8 61.7 5.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.3 m 63.33 48.16 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 2.8 pt-20 -153.38 133.31 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.8 m -89.14 129.36 35.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 mt -100.69 161.05 13.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -140.81 151.02 44.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.618 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -70.26 139.83 52.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.07 -128.34 1.02 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.442 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.69 -69.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.6 mtm-85 -70.27 -35.72 73.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -93.89 150.31 20.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.99 109.78 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.618 HD13 ' CA ' ' A' ' 49' ' ' ASP . 6.7 mp -105.89 107.54 18.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -116.61 131.14 57.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 58' ' ' ASP . 36.4 tt0 -127.54 148.0 50.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.405 ' N ' ' HG2' ' A' ' 57' ' ' GLN . 14.7 t70 -133.59 77.99 1.75 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.48 -85.31 1.42 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.464 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.3 p -114.25 -21.74 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 111.163 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -87.07 145.77 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.8 m -124.71 169.57 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -160.34 130.29 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.664 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.2 tm? -131.98 117.53 18.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.664 ' N ' HD22 ' A' ' 64' ' ' LEU . 18.1 mt-30 -106.32 147.08 29.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.495 HD13 ' CZ ' ' A' ' 77' ' ' TYR . 18.7 mt -127.22 98.52 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -78.67 132.28 36.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.03 47.18 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.446 HD13 ' HB3' ' A' ' 20' ' ' ALA . 50.9 mt -66.46 131.52 46.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.56 168.98 22.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.461 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 12.9 mmt -49.1 -31.65 8.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.26 -44.62 59.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.2 -32.68 49.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.3 m -51.04 113.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.44 -134.13 1.62 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -141.31 120.43 12.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.345 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.587 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 54.6 m-85 -104.05 150.24 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 m -139.7 125.94 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.1 t -94.92 100.28 12.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.522 HG21 ' HE ' ' A' ' 41' ' ' ARG . 2.2 t -88.28 145.8 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 15.5 p -132.05 15.73 4.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.482 ' H ' HG12 ' A' ' 80' ' ' VAL . . . 131.31 -79.25 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -103.08 -45.36 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -100.58 163.51 12.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.417 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 7.6 ptp180 -162.38 154.06 18.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 87' ' ' SER . 5.7 t -108.96 -176.18 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.438 ' N ' ' OG1' ' A' ' 86' ' ' THR . 2.7 p -160.29 152.85 20.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.866 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -157.72 105.97 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.9 mmm -54.9 127.07 27.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.525 HD23 ' CE1' ' A' ' 77' ' ' TYR . 5.4 tp -106.49 115.37 30.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.464 ' N ' HD12 ' A' ' 90' ' ' LEU . 54.6 m -102.38 125.36 49.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.461 ' O ' ' CE ' ' A' ' 71' ' ' MET . 99.8 t -105.33 95.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -67.6 112.87 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.18 141.64 28.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 48.0 mt -76.51 147.21 78.38 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.579 0.704 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 104.11 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.258 . . . . 0.0 112.353 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.9 mp -67.1 -63.84 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -86.11 115.74 23.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -94.35 87.97 5.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.3 p -64.09 137.72 58.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -114.17 160.74 18.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.5 t -63.28 125.36 23.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.29 71.06 1.01 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.0 m -89.69 115.06 26.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 t -38.32 132.47 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.3 m -70.87 -54.68 10.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -63.21 108.99 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.09 -150.87 18.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 m -151.24 150.75 30.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m -116.45 109.96 17.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.5 -170.17 15.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.53 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 159.05 54.83 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.751 2.301 . . . . 0.0 112.344 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.31 151.56 19.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -105.8 132.16 52.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 97.3 m-85 -62.84 103.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 13' ' ' GLU . 45.2 pt -72.36 -29.74 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.404 ' N ' HG13 ' A' ' 12' ' ' ILE . 37.6 mt-10 -124.66 118.04 25.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.71 135.03 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.964 HG23 ' HB2' ' A' ' 88' ' ' ALA . 30.4 m -54.71 162.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -101.02 152.77 20.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -46.79 148.82 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.615 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.5 tp-100 -111.04 135.93 50.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -150.58 122.17 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.31 148.52 20.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 mtt85 -70.43 143.92 51.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -39.72 154.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.04 22.72 74.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.09 -177.79 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.883 0.373 . . . . 0.0 111.072 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 m -123.33 108.85 13.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.615 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -72.84 154.97 40.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.074 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.724 HG22 ' HG2' ' A' ' 65' ' ' GLN . 92.4 t -137.88 120.89 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 64' ' ' LEU . 9.6 mt -114.69 111.79 21.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.872 ' O ' HG12 ' A' ' 15' ' ' VAL . 86.8 mt-30 -114.51 142.98 45.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 1.2 p -144.5 -178.8 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -140.5 155.29 46.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD21 ' CE1' ' A' ' 11' ' ' PHE . 8.0 mt -131.24 148.34 52.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -14.9 62.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -161.52 146.08 13.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.42 118.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.468 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -159.99 149.86 14.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.566 0.698 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 176.86 6.17 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.368 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.1 m -151.51 161.03 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.695 ' CG ' HG23 ' A' ' 46' ' ' THR . 38.4 tt0 -132.13 80.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.817 ' CD1' HD22 ' A' ' 55' ' ' LEU . 99.4 m95 -49.81 111.66 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -99.59 -174.58 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.671 ' HB2' HD11 ' A' ' 47' ' ' LEU . 8.8 tmtt? -170.97 128.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.95 40.96 0.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m 75.01 45.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 42' ' ' LYS . 2.8 pt-20 -152.0 132.11 13.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.695 HG23 ' CG ' ' A' ' 39' ' ' GLU . 26.8 m -77.49 131.63 38.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.671 HD11 ' HB2' ' A' ' 42' ' ' LYS . 14.3 mt -105.09 168.81 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -147.24 149.67 33.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.78 137.11 56.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.45 -118.93 0.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.32 -62.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -70.14 -24.93 63.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -114.57 141.31 47.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.62 100.11 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.994 HD23 HD23 ' A' ' 64' ' ' LEU . 8.0 mt -98.28 121.53 40.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -130.11 119.28 22.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 42.0 tt0 -110.88 144.31 40.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -133.4 74.12 1.55 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.41 -86.4 1.46 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.7 p -113.77 -23.66 9.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.857 0.361 . . . . 0.0 111.128 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -85.97 143.77 27.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 61.0 m -121.25 169.04 10.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -161.55 132.46 5.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.994 HD23 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -136.65 116.73 13.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.805 ' N ' HD22 ' A' ' 64' ' ' LEU . 21.8 mt-30 -103.23 145.65 29.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.0 mt -123.27 121.19 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -100.93 119.42 38.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.52 42.89 1.1 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.541 ' CD2' HD21 ' A' ' 90' ' ' LEU . 43.9 mt -61.31 111.72 1.87 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -134.91 159.09 42.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.46 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 11.3 mmt -38.76 -31.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.59 67.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 70' ' ' ALA . 9.4 m-20 -54.33 -35.19 62.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.7 m -47.0 104.44 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.95 -130.77 1.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.492 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -146.9 112.53 5.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 10.5 m-85 -95.98 145.22 25.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 m -135.01 126.34 28.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 t -95.71 100.46 12.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.488 HG13 ' HB3' ' A' ' 85' ' ' ARG . 2.1 t -93.32 138.15 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -110.1 -52.81 2.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.23 -65.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -112.22 -33.12 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -116.08 173.97 6.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.574 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -166.54 172.05 11.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 87' ' ' SER . 7.1 t -118.38 -177.35 3.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.406 ' N ' ' OG1' ' A' ' 86' ' ' THR . 0.6 OUTLIER -161.36 145.41 13.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.964 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -151.1 105.03 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.055 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.7 tpp -52.68 127.74 24.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' A' ' 69' ' ' LEU . 8.3 tp -108.09 109.76 21.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.8 m -96.32 124.24 40.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.46 ' O ' ' CE ' ' A' ' 71' ' ' MET . 86.0 t -103.38 95.48 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 -68.36 111.3 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.19 122.66 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.4 mt -43.85 152.82 0.43 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.619 0.723 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 101.25 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.272 . . . . 0.0 112.348 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.768 HG22 ' H ' ' A' ' 99' ' ' PHE . 24.3 mt -51.19 134.27 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -103.45 30.15 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.768 ' H ' HG22 ' A' ' 97' ' ' ILE . 1.3 t80 -112.28 95.2 5.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.6 p -103.93 92.76 4.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.138 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -99.76 134.19 43.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.1 m -68.69 -54.28 17.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.69 -95.35 0.23 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 175.38 8.14 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.267 . . . . 0.0 112.388 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.5 m -95.12 146.62 24.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 27.8 t -110.47 124.99 52.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.436 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.7 p -163.57 158.97 21.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -80.4 -44.34 19.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.8 54.72 0.59 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 m -41.5 132.76 2.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.368 . . . . 0.0 110.9 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -58.43 -53.59 56.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.34 -164.6 12.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 163.18 39.28 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.314 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.21 141.92 28.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.485 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 16.6 ptt180 -118.44 141.31 48.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.577 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 92.3 m-85 -69.11 102.82 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.566 HD11 ' HG2' ' A' ' 31' ' ' GLU . 44.9 pt -71.26 -28.83 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -131.13 123.68 29.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -84.16 129.06 34.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.81 HG12 ' O ' ' A' ' 29' ' ' GLN . 32.8 m -47.0 159.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -94.79 155.51 16.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -50.96 127.42 18.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.509 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -87.96 136.14 33.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -154.92 125.56 6.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.66 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -156.14 153.74 29.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -75.97 147.28 38.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.468 ' HG3' HG12 ' A' ' 92' ' ' VAL . 17.3 mt-10 -48.26 133.2 15.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.18 28.87 16.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.438 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -127.28 -179.79 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 111.066 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.5 m -121.75 105.31 10.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.409 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -65.1 159.27 23.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.509 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 93.0 t -140.71 105.9 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 6.9 mt -100.75 113.13 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.81 ' O ' HG12 ' A' ' 15' ' ' VAL . 69.4 mt-30 -114.3 144.03 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.422 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 5.0 p -140.61 -178.98 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.566 ' HG2' HD11 ' A' ' 12' ' ' ILE . 9.2 tt0 -139.0 146.91 41.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.1 mt -122.81 153.3 39.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.485 ' ND2' ' HG2' ' A' ' 10' ' ' ARG . 24.5 p-10 -67.57 -24.05 65.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.42 ' C ' HG22 ' A' ' 60' ' ' THR . 8.7 t -152.81 151.96 31.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.94 115.72 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.409 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -164.63 153.13 10.97 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.579 0.705 . . . . 0.0 111.099 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 173.26 11.18 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.358 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.411 HG12 ' HB3' ' A' ' 81' ' ' CYS . 21.4 m -155.38 171.88 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.499 ' CD ' ' N ' ' A' ' 40' ' ' TRP . 1.6 tm-20 -138.82 130.53 27.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.543 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 92.5 m95 -97.29 110.27 22.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.419 ' CG ' ' OE1' ' A' ' 39' ' ' GLU . 63.2 mtm180 -94.22 -174.26 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.542 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 16.4 tttt -167.26 125.69 1.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 37.74 42.75 1.1 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 t 74.96 46.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -152.33 133.05 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.47 HG23 ' CD ' ' A' ' 39' ' ' GLU . 81.0 m -81.94 120.31 25.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.415 HD11 ' HB2' ' A' ' 42' ' ' LYS . 11.3 mt -88.51 163.63 15.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -136.68 146.71 46.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.526 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -69.24 129.56 40.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.02 -139.61 2.71 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.95 -55.29 6.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -75.33 -42.56 54.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -94.62 149.98 20.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -145.95 105.06 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 55' ' ' LEU . 5.8 mp -98.54 105.03 17.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -105.92 178.84 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 43.7 tt0 -175.04 143.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -133.82 72.78 1.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.52 -91.73 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.42 HG22 ' C ' ' A' ' 34' ' ' SER . 5.0 p -108.32 -23.75 11.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.821 0.343 . . . . 0.0 111.115 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -84.41 149.41 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 35.7 m -123.87 172.53 8.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -162.64 138.27 7.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.2 tm? -140.55 116.2 10.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.652 ' N ' HD22 ' A' ' 64' ' ' LEU . 20.0 mt-30 -101.05 143.4 31.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.4 mt -122.56 95.89 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.2 mtp85 -75.89 122.92 24.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.24 56.83 0.82 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.66 HD13 ' HB3' ' A' ' 20' ' ' ALA . 51.0 mt -73.78 114.94 12.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.338 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.84 162.28 33.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.8 mmt -42.04 -41.32 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.59 98.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.4 -29.34 64.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.9 m -52.74 104.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.58 -137.98 2.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -133.95 132.34 40.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.542 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 16.3 m-85 -115.6 140.52 49.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.4 m -133.27 125.89 30.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.562 ' HB3' HG22 ' A' ' 86' ' ' THR . 9.1 t -95.04 113.08 24.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 t -101.63 132.93 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 19.4 p -121.0 28.4 7.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.93 -82.7 0.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -103.04 -48.0 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 110.931 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -93.23 168.94 10.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.577 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 2.9 ptp180 -167.44 159.49 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.562 HG22 ' HB3' ' A' ' 79' ' ' CYS . 7.7 t -111.37 -178.74 3.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.1 147.39 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.718 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -162.39 110.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.074 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.22 127.79 33.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.433 HD23 ' CE1' ' A' ' 77' ' ' TYR . 4.8 tp -100.95 113.77 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 35.2 m -98.94 124.03 43.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.468 HG12 ' HG3' ' A' ' 22' ' ' GLU . 98.3 t -105.15 88.49 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -57.29 108.52 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.78 129.03 40.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.4 mt -59.16 153.03 48.82 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 97' ' ' ILE . 53.5 Cg_endo -69.82 95.2 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 96' ' ' PRO . 50.2 mm -34.02 -57.03 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 99' ' ' PHE . 17.4 tptp -118.95 153.57 34.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.416 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 13.8 p90 -104.91 151.21 24.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.826 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.5 p -117.35 128.72 55.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -96.71 173.2 7.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.1 t -57.02 -58.91 6.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 161.82 144.78 4.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 150.29 67.93 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.627 2.218 . . . . 0.0 112.362 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.1 m -97.81 124.36 42.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.1 t 62.18 41.96 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.541 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -75.39 166.7 23.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 110.878 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.9 t -40.32 124.57 1.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.81 54.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 p -108.25 133.21 52.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.829 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -88.93 98.63 11.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.79 -165.23 38.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.487 ' HG3' ' NE2' ' A' ' 83' ' ' GLN . 53.4 Cg_endo -69.74 159.85 51.89 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 2.236 . . . . 0.0 112.354 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.34 145.11 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 ptt-85 -115.14 127.06 55.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 89.7 m-85 -57.63 101.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 13' ' ' GLU . 46.3 pt -68.78 -31.7 51.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.423 ' N ' HG13 ' A' ' 12' ' ' ILE . 4.5 mm-40 -125.68 132.53 52.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.59 125.99 39.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.822 HG23 ' HB2' ' A' ' 88' ' ' ALA . 19.3 m -44.77 159.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -97.76 148.78 23.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -42.87 157.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.651 ' HB3' HD13 ' A' ' 90' ' ' LEU . 5.6 tp-100 -116.86 115.6 25.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -124.85 103.99 8.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.21 153.33 43.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.043 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -86.27 156.49 20.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.546 ' HG3' HG12 ' A' ' 92' ' ' VAL . 23.0 mt-10 -52.21 133.12 34.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.03 27.54 15.99 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -125.37 179.84 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.8 m -120.03 105.63 11.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.122 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.498 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -64.35 154.98 33.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.626 HG22 ' HG2' ' A' ' 65' ' ' GLN . 57.6 t -139.95 114.57 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.532 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 11.6 mt -114.73 114.21 25.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.797 ' O ' HG12 ' A' ' 15' ' ' VAL . 76.2 mt-30 -116.72 142.79 46.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.427 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 3.3 p -140.63 171.74 13.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -132.32 154.54 49.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.535 HD21 ' CE1' ' A' ' 11' ' ' PHE . 9.1 mt -131.09 148.48 52.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -20.42 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.3 t -156.58 141.53 17.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.585 ' N ' HG22 ' A' ' 60' ' ' THR . . . -39.44 109.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.07 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.07 149.74 30.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 111.089 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 176.37 6.81 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.736 2.291 . . . . 0.0 112.343 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.463 HG11 ' SG ' ' A' ' 62' ' ' CYS . 21.2 m -154.72 159.58 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.555 ' CG ' HG23 ' A' ' 46' ' ' THR . 32.8 tt0 -135.04 85.65 2.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.583 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 97.5 m95 -53.03 118.76 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.435 ' NE ' HG21 ' A' ' 80' ' ' VAL . 94.3 mtt180 -106.92 -178.84 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.574 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 5.9 tmtt? -167.03 131.32 1.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.95 52.3 0.67 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m 64.67 52.76 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 110.834 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -158.28 154.96 28.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.555 HG23 ' CG ' ' A' ' 39' ' ' GLU . 96.8 m -96.34 134.59 39.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.128 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.485 HD12 ' HB3' ' A' ' 40' ' ' TRP . 17.3 mt -100.22 163.52 12.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.9 mmm-85 -147.19 159.76 43.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.544 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -80.37 147.09 31.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.9 -131.76 1.37 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.498 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -88.36 -44.66 10.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -87.77 -38.1 16.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -92.72 158.54 15.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -151.01 105.07 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.805 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.544 HD13 ' N ' ' A' ' 49' ' ' ASP . 6.6 mp -103.31 103.48 13.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -110.5 174.83 5.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -170.34 137.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -123.02 75.19 1.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.01 -85.46 1.57 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.585 HG22 ' N ' ' A' ' 35' ' ' ALA . 54.8 p -111.87 -23.68 10.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.379 . . . . 0.0 111.155 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -85.39 141.22 30.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.463 ' SG ' HG11 ' A' ' 38' ' ' VAL . 17.0 m -117.44 172.07 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -160.61 136.87 8.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.59 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.2 tm? -140.09 112.95 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.626 ' HG2' HG22 ' A' ' 27' ' ' VAL . 25.6 mt-30 -103.28 142.6 33.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.2 mt -123.26 97.51 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -78.74 131.6 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.44 50.97 2.63 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.1 mt -62.78 149.36 44.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -158.26 170.93 21.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.0 mmt -53.45 -51.12 63.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.93 -44.7 50.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -55.23 -27.45 46.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.6 m -55.71 102.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.87 -128.33 0.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -138.91 129.02 25.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.574 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 27.5 m-85 -112.36 137.24 50.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 m -134.68 130.92 37.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.7 t -99.88 109.16 21.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.469 HG13 ' HB3' ' A' ' 85' ' ' ARG . 1.6 t -98.36 138.58 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.4 -43.54 3.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.42 -64.06 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.487 ' NE2' ' HG3' ' A' ' 8' ' ' PRO . 37.5 mt-30 -106.14 -39.09 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -115.84 169.55 9.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 8.8 ptp180 -160.22 166.84 28.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 87' ' ' SER . 5.4 t -114.96 -178.0 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.164 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.432 ' N ' ' OG1' ' A' ' 86' ' ' THR . 0.9 OUTLIER -156.65 148.11 22.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.822 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -160.2 106.88 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.7 tpp -56.97 137.96 54.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.651 HD13 ' HB3' ' A' ' 18' ' ' GLN . 6.9 tp -114.27 103.13 10.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.2 m -90.36 117.37 29.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.546 HG12 ' HG3' ' A' ' 22' ' ' GLU . 90.2 t -96.75 86.79 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -58.62 104.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.89 139.39 17.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.8 mt -54.64 144.42 44.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.581 0.705 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 100.96 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.776 ' H ' HD12 ' A' ' 97' ' ' ILE . 5.4 mp -41.16 -53.32 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -124.08 131.45 53.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -90.84 119.08 30.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.7 m -84.35 141.33 30.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -138.43 141.17 39.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.0 t -158.06 138.69 12.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.836 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -115.8 -155.21 10.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 139.3 39.98 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.8 t -168.14 168.08 11.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 m -83.02 115.95 22.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m 44.78 42.72 6.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.1 p -67.46 -41.61 84.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.29 105.63 1.04 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.6 p -92.65 -47.13 7.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 t -60.37 -46.87 88.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.58 153.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.47 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 164.76 33.34 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.45 141.07 51.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 -120.93 136.67 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 92.3 m-85 -63.65 101.24 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 45.9 pt -70.63 -31.37 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -124.93 117.17 23.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.42 136.89 35.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.813 HG12 ' O ' ' A' ' 29' ' ' GLN . 22.3 m -56.47 165.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -106.73 150.91 25.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -42.53 152.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.597 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 5.8 tp-100 -114.33 113.73 24.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -123.88 103.05 8.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.7 149.47 47.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -77.05 154.35 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.671 ' O ' HD11 ' A' ' 95' ' ' LEU . 15.0 mt-10 -53.09 140.76 24.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.03 28.85 39.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -125.41 -175.6 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 111.072 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.5 m -123.78 107.43 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.597 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -62.35 168.67 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.416 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 24.0 t -149.92 112.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.179 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.591 HD12 HD12 ' A' ' 64' ' ' LEU . 10.1 mt -112.51 108.49 17.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.813 ' O ' HG12 ' A' ' 15' ' ' VAL . 84.7 mt-30 -110.99 139.61 46.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.517 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 8.0 p -142.34 168.6 19.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -130.29 153.43 48.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.0 mt -123.91 153.26 41.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.454 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -68.61 -20.8 64.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 t -156.6 145.73 20.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.83 117.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.424 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -164.95 151.45 9.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 175.76 7.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m -151.3 171.39 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -146.56 106.21 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.767 ' CD1' HD22 ' A' ' 55' ' ' LEU . 86.8 m95 -73.74 120.97 20.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -112.4 -178.82 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.583 ' HD2' ' CE1' ' A' ' 77' ' ' TYR . 13.1 tttp -162.22 128.82 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 32.61 55.48 0.47 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.45 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m 64.53 52.7 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -154.99 138.3 15.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.0 m -89.66 129.56 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 42' ' ' LYS . 8.7 mt -100.32 171.74 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 4.9 mmm180 -152.82 146.75 25.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.15 137.18 57.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.75 -128.07 0.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.14 -55.81 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.9 mtm-85 -75.29 -44.5 45.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -92.17 139.94 30.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.7 97.63 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.821 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.024 HD23 HD23 ' A' ' 64' ' ' LEU . 4.6 mt -94.47 121.69 36.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -129.79 117.94 21.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 33.0 tt0 -112.39 142.55 44.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -134.58 76.07 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.18 -90.72 1.57 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.436 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.4 p -110.57 -22.94 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -86.65 148.1 25.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 64.9 m -129.23 170.3 13.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 35.1 tt0 -162.49 134.06 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.024 HD23 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -135.83 110.45 8.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.657 ' N ' HD22 ' A' ' 64' ' ' LEU . 26.4 mt-30 -96.7 147.57 23.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.55 HD13 ' CZ ' ' A' ' 77' ' ' TYR . 42.7 mt -125.72 100.92 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -85.7 123.37 31.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.35 47.18 1.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.656 HD21 HD21 ' A' ' 90' ' ' LEU . 28.9 mt -65.16 142.72 58.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.754 0.311 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.24 158.06 23.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.9 mmt -42.44 -31.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.61 -44.78 61.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.41 -32.9 51.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.2 m -47.08 117.12 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -168.15 -138.49 2.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -137.19 118.56 14.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.354 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.583 ' CE1' ' HD2' ' A' ' 42' ' ' LYS . 86.3 m-85 -100.2 139.3 36.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -132.62 121.11 22.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.0 t -93.61 104.68 16.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.0 t -93.38 135.11 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.587 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 19.2 p -107.55 -39.69 5.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 179.05 -64.31 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -103.28 -39.52 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -118.63 170.21 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 3.6 ptt-85 -158.27 166.03 33.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.5 t -116.64 -176.86 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.06 149.34 21.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.808 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -159.29 105.06 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.9 tpp -56.94 129.38 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.656 HD21 HD21 ' A' ' 69' ' ' LEU . 9.4 tp -104.97 100.41 10.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 48.7 m -88.01 111.51 21.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.595 HG22 HD22 ' A' ' 69' ' ' LEU . 81.6 t -88.07 89.18 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -56.32 110.87 0.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.66 135.09 57.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.671 HD11 ' O ' ' A' ' 22' ' ' GLU . 17.4 mt -68.47 151.47 97.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.6 0.714 . . . . 0.0 110.938 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 104.78 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.316 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.86 136.98 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -51.4 -53.71 33.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.0 t80 70.77 45.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 101' ' ' GLU . 5.5 t -54.66 -28.05 44.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 100' ' ' THR . 4.9 tp10 34.66 47.37 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 t -84.91 -56.06 3.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -121.17 144.14 16.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 100.98 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.377 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.6 m -65.51 160.03 23.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 t -70.99 154.66 41.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.511 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -91.68 115.8 28.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.886 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -90.07 157.48 17.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.856 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.97 96.37 1.71 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.531 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 m -120.67 41.4 3.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.875 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 t -133.56 129.27 36.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.25 -103.29 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.53 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 159.38 53.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.274 . . . . 0.0 112.311 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.56 134.61 55.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -114.14 134.38 54.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 59.0 m-85 -61.55 93.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.658 HD11 ' HG2' ' A' ' 31' ' ' GLU . 46.4 pt -60.58 -27.6 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -129.85 137.14 50.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.0 126.8 50.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.78 HG12 ' O ' ' A' ' 29' ' ' GLN . 16.0 m -47.9 166.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -176.04 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -69.46 137.46 52.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.531 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.2 tp-100 -100.81 131.0 46.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -141.98 130.36 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.478 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -162.96 144.92 10.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -73.03 144.29 47.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.74 ' O ' HD11 ' A' ' 95' ' ' LEU . 34.7 mt-10 -40.55 139.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.23 25.63 50.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.465 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -117.7 -177.09 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.4 m -125.83 101.57 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.531 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -56.88 160.87 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.3 t -145.64 107.02 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.669 HD12 HD12 ' A' ' 64' ' ' LEU . 10.7 mt -104.55 117.02 33.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.78 ' O ' HG12 ' A' ' 15' ' ' VAL . 76.8 mt-30 -113.71 142.16 46.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 p -146.81 177.19 9.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.658 ' HG2' HD11 ' A' ' 12' ' ' ILE . 4.2 tt0 -135.95 159.45 41.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.479 HD11 ' CG1' ' A' ' 38' ' ' VAL . 31.7 mt -127.44 152.99 46.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.472 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -73.41 -1.99 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.511 ' C ' HG22 ' A' ' 60' ' ' THR . 1.1 m -174.45 150.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.07 113.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.461 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -167.72 150.2 5.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 176.51 6.71 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG1' HD11 ' A' ' 32' ' ' LEU . 24.1 m -155.95 -176.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -151.54 125.64 9.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.582 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 89.7 m95 -90.27 115.51 27.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -101.57 -173.9 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.513 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 3.4 tttm -170.28 126.0 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.77 54.09 1.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.49 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m 64.26 49.87 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' CD ' ' HB3' ' A' ' 42' ' ' LYS . 2.1 pt-20 -152.02 139.09 19.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.4 m -92.38 120.39 32.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.7 mt -88.12 164.96 15.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -143.01 150.05 39.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.491 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -69.84 128.03 34.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -158.15 -143.0 3.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -73.66 -51.17 17.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -81.1 -40.91 23.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -95.44 151.45 19.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.19 105.44 3.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.502 ' N ' HD12 ' A' ' 55' ' ' LEU . 6.6 mp -102.48 102.71 13.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -108.04 175.98 5.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 29.8 tt0 -170.28 145.66 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' N ' ' HG2' ' A' ' 57' ' ' GLN . 1.6 t70 -133.03 74.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.48 -88.28 1.57 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.511 HG22 ' C ' ' A' ' 34' ' ' SER . 14.0 p -111.31 -25.0 9.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 111.118 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -83.44 155.64 23.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.5 m -131.31 173.31 11.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -163.4 130.19 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.669 HD12 HD12 ' A' ' 28' ' ' LEU . 1.1 tm? -129.44 118.88 22.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.649 ' N ' HD22 ' A' ' 64' ' ' LEU . 33.1 mt-30 -105.63 139.52 40.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.9 mt -121.19 95.8 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -81.19 128.82 34.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.18 43.89 2.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' A' ' 20' ' ' ALA . 65.5 mt -61.7 143.0 56.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 110.932 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -160.56 160.16 31.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.8 mmt -37.69 -45.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.39 -43.17 88.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER -56.03 -31.85 63.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.8 m -50.0 104.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.09 -141.35 3.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.71 142.4 50.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.513 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 21.1 m-85 -125.08 139.76 53.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 m -130.96 121.66 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.407 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 5.6 t -92.32 106.06 18.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 t -93.07 142.24 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 25.9 p -118.84 -31.38 4.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 174.68 -70.95 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -104.66 -33.55 8.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -117.24 162.87 17.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.531 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 4.8 ptp180 -158.8 157.35 31.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.8 t -104.41 -177.58 3.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 p -161.3 143.36 11.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.519 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -164.29 123.06 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.064 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 19.6 mtp -67.64 147.73 52.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.406 HD21 ' CD2' ' A' ' 69' ' ' LEU . 4.7 tp -119.49 108.27 14.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 64.5 m -89.94 127.38 36.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.409 HG12 ' HG3' ' A' ' 22' ' ' GLU . 86.6 t -108.71 86.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -57.38 103.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.408 ' HA ' ' CD ' ' A' ' 22' ' ' GLU . . . -49.89 143.33 7.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.74 HD11 ' O ' ' A' ' 22' ' ' GLU . 15.2 mt -75.08 149.53 85.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 104.9 1.39 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.64 2.227 . . . . 0.0 112.354 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 65.0 mt -63.6 -64.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.29 131.05 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -43.43 109.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.8 m -57.38 121.98 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.75 81.58 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.9 t -142.98 147.89 35.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -103.52 95.36 1.2 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -6.48 18.69 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.367 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.4 m -81.48 174.04 11.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.1 t -47.77 -55.05 10.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t -106.45 106.41 16.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 110.841 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 m -126.67 113.12 16.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.31 147.07 18.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -134.41 147.03 50.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -89.85 41.91 1.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.17 166.78 0.55 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 159.24 54.13 Favored 'Trans proline' 0 C--O 1.23 0.125 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.34 134.89 46.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -118.92 126.39 51.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 97.4 m-85 -50.16 96.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 44.3 pt -64.37 -31.49 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.426 ' N ' HG13 ' A' ' 12' ' ' ILE . 22.7 mm-40 -122.88 128.9 50.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -90.12 134.67 34.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.942 HG12 ' O ' ' A' ' 29' ' ' GLN . 33.2 m -55.59 163.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -102.26 150.73 23.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -42.16 161.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.553 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.5 tp-100 -126.07 132.01 52.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -146.39 134.72 21.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.11 152.66 3.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -78.61 151.23 32.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.695 ' O ' HD11 ' A' ' 95' ' ' LEU . 13.8 mt-10 -44.44 144.88 0.94 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.55 28.92 56.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.562 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -118.54 -174.83 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.898 0.38 . . . . 0.0 111.073 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.5 m -128.94 106.77 9.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.553 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -69.74 154.93 41.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.051 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.65 HG22 ' HG2' ' A' ' 65' ' ' GLN . 95.3 t -138.66 118.96 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.462 HD12 HD12 ' A' ' 64' ' ' LEU . 9.4 mt -117.7 112.76 20.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.942 ' O ' HG12 ' A' ' 15' ' ' VAL . 78.4 mt-30 -114.1 145.04 42.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.453 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 3.9 p -147.28 169.47 19.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -131.58 148.66 52.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD21 ' CE1' ' A' ' 11' ' ' PHE . 12.1 mt -120.55 147.43 45.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.2 t30 -58.81 -22.92 59.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' ALA . 12.1 t -162.46 144.93 11.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.52 ' N ' HG22 ' A' ' 60' ' ' THR . . . -34.06 117.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.499 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -159.83 148.89 14.05 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.577 0.703 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.434 ' O ' HG13 ' A' ' 38' ' ' VAL . 53.4 Cg_endo -69.82 178.49 4.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.645 2.23 . . . . 0.0 112.308 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 37' ' ' PRO . 18.8 m -156.99 159.8 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.662 ' CG ' HG23 ' A' ' 46' ' ' THR . 32.4 tt0 -134.7 85.97 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.879 ' CD1' HD22 ' A' ' 55' ' ' LEU . 99.3 m95 -53.21 113.96 1.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -102.71 -176.85 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.526 ' HB2' HD11 ' A' ' 47' ' ' LEU . 34.2 tttt -168.83 130.6 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.7 45.26 0.36 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.537 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m 70.82 50.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 110.856 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -156.63 130.35 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.662 HG23 ' CG ' ' A' ' 39' ' ' GLU . 53.5 m -75.82 134.24 40.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' ' 42' ' ' LYS . 7.7 mt -106.78 165.27 11.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -147.29 150.36 34.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -64.11 137.91 58.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.68 -126.98 0.87 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -88.47 -49.21 7.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.812 0.339 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -82.48 -41.2 20.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -94.34 139.99 30.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.43 96.82 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.972 HD23 HD23 ' A' ' 64' ' ' LEU . 5.8 mt -93.56 120.64 34.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -129.59 112.52 13.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 35.7 tt0 -107.19 140.5 39.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -128.88 78.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.84 -89.18 1.25 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.52 HG22 ' N ' ' A' ' 35' ' ' ALA . 23.0 p -109.34 -25.85 10.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 111.147 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -83.34 155.04 23.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.7 m -133.16 173.3 11.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 55' ' ' LEU . 40.0 tt0 -165.1 138.64 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.972 HD23 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -141.69 114.3 8.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.65 ' HG2' HG22 ' A' ' 27' ' ' VAL . 43.4 mt-30 -102.5 146.52 28.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.4 mt -123.16 99.64 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -80.02 123.04 27.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.41 54.86 1.13 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.562 HD12 ' HB3' ' A' ' 24' ' ' ALA . 43.4 mt -67.43 112.27 4.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -122.95 146.9 47.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.427 ' SD ' ' HB2' ' A' ' 94' ' ' ALA . 77.0 mmm -38.23 -39.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.63 98.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 70' ' ' ALA . 87.8 m-20 -54.53 -36.82 64.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.5 m -39.71 114.11 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.74 -140.85 2.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.445 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -135.94 114.66 11.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 42' ' ' LYS . 22.7 m-85 -97.22 140.81 31.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -133.29 124.55 27.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.0 t -94.93 100.19 12.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.477 ' HA ' ' CB ' ' A' ' 85' ' ' ARG . 2.4 t -94.01 137.82 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.63 -53.66 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -161.64 -61.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -108.9 -38.03 5.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.741 0.305 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -117.3 172.58 7.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.578 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -165.27 171.05 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.2 t -123.94 179.67 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 p -158.07 155.74 29.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.794 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -157.66 105.23 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 71.1 mmm -52.28 126.96 20.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.469 HD23 ' CE1' ' A' ' 77' ' ' TYR . 6.5 tp -108.22 115.7 30.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.434 ' N ' HD12 ' A' ' 90' ' ' LEU . 86.7 m -102.15 126.14 49.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.4 t -107.44 96.95 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -70.6 113.93 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.427 ' HB2' ' SD ' ' A' ' 71' ' ' MET . . . -52.54 147.7 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.695 HD11 ' O ' ' A' ' 22' ' ' GLU . 36.1 mt -85.66 143.57 38.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.565 0.698 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 106.58 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 51.1 mt -82.98 138.61 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -89.41 100.66 13.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -122.28 173.6 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.3 t -134.73 148.21 50.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -141.36 155.15 45.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.8 t -104.6 126.44 51.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 104' ' ' PRO . . . -38.92 108.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 103' ' ' GLY . 53.8 Cg_endo -69.74 157.22 61.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.649 2.233 . . . . 0.0 112.36 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.2 t -81.26 46.51 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.1 t -155.92 110.5 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -121.02 110.76 16.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.932 0.396 . . . . 0.0 110.87 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -150.9 132.58 14.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.96 75.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 t -167.89 124.47 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 m -63.24 104.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.87 -169.56 11.96 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 160.44 49.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.33 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.41 133.53 55.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HA ' ' CG ' ' A' ' 84' ' ' GLU . 14.3 ptt-85 -108.67 148.44 30.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 73.5 m-85 -74.08 93.1 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.441 HG13 ' N ' ' A' ' 13' ' ' GLU . 40.3 pt -60.1 -32.82 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.441 ' N ' HG13 ' A' ' 12' ' ' ILE . 13.9 mm-40 -124.67 134.06 53.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.62 129.39 42.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.938 HG12 ' O ' ' A' ' 29' ' ' GLN . 34.0 m -47.33 162.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -98.64 152.97 19.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -47.65 127.2 11.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.504 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -88.68 133.92 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -155.37 125.56 6.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.439 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -156.0 150.42 25.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.9 ptt85 -73.01 151.89 41.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -51.13 137.55 21.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.14 32.86 16.01 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -132.04 -178.28 4.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.8 m -125.4 103.26 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HB1' ' OE1' ' A' ' 18' ' ' GLN . . . -58.59 162.04 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.818 HG22 ' HG2' ' A' ' 65' ' ' GLN . 82.1 t -143.22 106.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.458 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 7.7 mt -102.11 117.75 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.938 ' O ' HG12 ' A' ' 15' ' ' VAL . 75.6 mt-30 -116.68 145.51 43.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.5 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 3.5 p -146.7 174.37 11.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.433 ' HG2' HD11 ' A' ' 12' ' ' ILE . 24.4 tt0 -134.71 160.5 37.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.8 mt -133.4 153.25 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -66.61 -24.42 66.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 t -152.95 152.25 31.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.24 111.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.509 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -158.87 151.03 17.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 111.083 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 176.04 7.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.8 m -150.31 176.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 80' ' ' VAL . 9.0 tt0 -150.5 105.29 3.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.773 ' CD1' HD22 ' A' ' 55' ' ' LEU . 83.7 m95 -72.82 128.13 34.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -111.68 169.54 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.426 ' HB2' HD21 ' A' ' 47' ' ' LEU . 18.6 tttt -134.98 92.71 2.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.38 -82.23 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.5 p -135.01 30.21 3.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.845 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -141.2 173.77 11.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.459 HG23 ' HG2' ' A' ' 39' ' ' GLU . 26.1 m -114.88 140.59 48.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' A' ' 42' ' ' LYS . 15.8 mt -105.73 165.6 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -151.43 143.25 23.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -52.73 120.93 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.31 -128.21 1.54 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -88.05 -56.91 3.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -74.52 -42.52 58.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -89.94 138.19 31.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.13 97.08 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.863 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.976 HD23 HD23 ' A' ' 64' ' ' LEU . 6.0 mt -93.6 119.29 32.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -129.49 109.63 11.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 24.4 tt0 -106.68 146.09 31.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 57' ' ' GLN . 8.0 t0 -133.86 71.76 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.19 -89.93 1.63 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.0 p -109.83 -23.75 11.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.117 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -87.28 151.1 23.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 58.3 m -128.8 175.21 8.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -166.92 123.35 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.976 HD23 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -128.0 117.32 21.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.818 ' HG2' HG22 ' A' ' 27' ' ' VAL . 29.1 mt-30 -106.25 149.28 27.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.2 mt -124.12 95.51 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -75.53 126.43 30.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.403 ' O ' ' OD2' ' A' ' 73' ' ' ASP . . . 97.88 53.87 1.26 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.518 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.439 HD13 ' HB3' ' A' ' 20' ' ' ALA . 53.1 mt -69.66 143.9 53.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.03 171.39 17.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.407 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 12.7 mmt -53.48 -38.89 64.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.99 -43.36 88.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.403 ' OD2' ' O ' ' A' ' 68' ' ' GLY . 75.9 m-20 -53.98 -36.49 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.0 m -43.54 105.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.31 -144.76 4.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -131.88 133.01 44.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.492 ' CE1' HD23 ' A' ' 90' ' ' LEU . 15.4 m-85 -117.94 142.86 46.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -134.36 119.62 18.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.554 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 2.3 t -87.37 99.01 11.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.841 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 39' ' ' GLU . 2.3 t -87.05 134.0 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 25.4 p -111.03 -37.52 5.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -179.02 -77.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -96.51 -31.71 12.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.431 ' CG ' ' HA ' ' A' ' 10' ' ' ARG . 1.1 pm0 -121.24 167.88 12.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.54 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 7.2 ptp180 -159.96 158.74 31.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.8 t -108.11 176.89 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 p -155.34 149.1 25.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.685 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -158.52 115.46 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 70.2 mmm -62.74 121.85 14.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.492 HD23 ' CE1' ' A' ' 77' ' ' TYR . 5.4 tp -98.06 110.73 23.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 73.1 m -100.26 129.04 46.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.407 ' O ' ' CE ' ' A' ' 71' ' ' MET . 85.3 t -107.65 96.46 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -67.81 112.87 5.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.3 132.27 53.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.7 mt -43.34 148.14 0.68 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 103.29 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.682 2.254 . . . . 0.0 112.318 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 27.6 mm -64.11 139.03 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -80.66 42.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -136.81 105.31 5.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.2 t -121.61 134.72 55.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -111.24 -56.98 2.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.4 m -114.71 157.74 22.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.9 -74.45 1.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.517 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 133.52 25.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.0 t -62.82 -44.53 95.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.7 p -73.1 118.42 16.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.4 p -161.09 177.26 10.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -157.45 169.15 25.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.55 127.23 5.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -92.13 167.69 11.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -60.57 131.14 49.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.96 121.24 0.57 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 167.32 24.79 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.94 141.41 34.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -118.13 133.15 56.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.584 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 81.7 m-85 -66.82 103.94 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.68 HD11 ' HG2' ' A' ' 31' ' ' GLU . 45.5 pt -70.59 -32.05 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.422 ' N ' HG13 ' A' ' 12' ' ' ILE . 11.2 mm-40 -128.3 131.62 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -91.69 135.95 33.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.978 HG12 ' O ' ' A' ' 29' ' ' GLN . 31.5 m -56.0 163.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -102.93 147.12 27.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -39.51 152.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -114.42 131.62 56.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -148.45 128.39 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.01 150.42 9.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -73.85 148.3 42.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -44.27 146.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.84 30.95 55.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.29 -179.62 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 111.093 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.5 m -121.87 102.38 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.47 169.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -153.95 108.93 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.438 HD12 HD12 ' A' ' 64' ' ' LEU . 10.1 mt -111.79 107.96 17.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.978 ' O ' HG12 ' A' ' 15' ' ' VAL . 77.0 mt-30 -108.74 145.12 35.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.457 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 7.1 p -147.1 173.18 12.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.68 ' HG2' HD11 ' A' ' 12' ' ' ILE . 23.6 tt0 -134.03 150.07 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.422 HD11 ' CG1' ' A' ' 38' ' ' VAL . 14.1 mt -120.0 150.13 41.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.485 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -67.91 -20.42 65.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.8 t -153.29 145.43 23.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.03 115.45 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.6 151.38 7.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.534 0.683 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 170.06 17.55 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.633 2.222 . . . . 0.0 112.345 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.422 ' CG1' HD11 ' A' ' 32' ' ' LEU . 21.9 m -148.12 178.44 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.412 ' CG ' HG23 ' A' ' 46' ' ' THR . 2.6 tp10 -145.5 124.97 13.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.749 ' CD1' HD22 ' A' ' 55' ' ' LEU . 84.5 m95 -91.58 113.07 25.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.651 ' HE ' HG21 ' A' ' 80' ' ' VAL . 34.3 mtt-85 -100.64 -179.06 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.605 ' HB2' HD11 ' A' ' 47' ' ' LEU . 5.3 tttm -171.42 113.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.06 41.81 60.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 t 71.33 49.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -152.5 128.69 10.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.412 HG23 ' CG ' ' A' ' 39' ' ' GLU . 53.3 m -79.13 124.6 28.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' A' ' 42' ' ' LYS . 13.7 mt -99.33 160.37 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.501 ' HA ' HD11 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -138.43 169.65 17.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.18 128.22 34.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.09 -129.83 1.17 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -84.65 -56.03 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 mtm105 -76.86 -42.06 41.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -93.77 141.36 28.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.28 101.75 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.111 HD23 HD23 ' A' ' 64' ' ' LEU . 2.1 mt -97.82 118.85 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -117.92 177.69 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.794 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -171.55 135.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -125.47 68.48 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.12 -85.05 1.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.2 p -112.58 -23.06 10.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -85.96 149.09 25.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.2 m -128.55 166.48 18.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -153.19 152.32 31.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.111 HD23 HD23 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -151.58 111.56 4.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.574 ' N ' HD22 ' A' ' 64' ' ' LEU . 14.7 mt-30 -97.19 149.52 21.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.407 HD13 ' CZ ' ' A' ' 77' ' ' TYR . 26.6 mt -127.56 93.42 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -75.94 134.85 40.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.11 42.83 4.24 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.92 111.41 1.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 110.929 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.19 162.63 27.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 11.6 mmt -43.18 -34.39 1.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.73 -43.55 72.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.15 -33.2 62.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.0 m -46.58 105.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.33 -153.72 7.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -123.0 129.38 51.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.668 ' CE1' HD23 ' A' ' 90' ' ' LEU . 21.3 m-85 -112.79 142.27 45.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.0 m -132.31 122.04 24.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 t -91.91 106.63 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.651 HG21 ' HE ' ' A' ' 41' ' ' ARG . 2.8 t -93.05 144.35 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.584 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 17.1 p -131.83 38.46 3.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.12 -76.85 0.31 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -114.99 -46.58 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -95.7 166.45 11.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.572 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -163.56 166.45 22.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.0 t -113.32 -174.94 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 p -160.86 146.81 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.813 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -156.16 105.6 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 70.4 mmm -51.15 134.55 26.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.668 HD23 ' CE1' ' A' ' 77' ' ' TYR . 6.8 tp -115.69 116.86 28.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.7 m -105.28 130.22 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.433 ' O ' ' CE ' ' A' ' 71' ' ' MET . 61.3 t -107.55 90.39 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -59.99 107.45 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.35 128.64 35.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.6 mt -43.17 146.68 0.8 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.628 0.727 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 104.74 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 33.3 mm -60.72 145.72 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.433 ' HA ' ' NZ ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -112.37 116.89 31.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -173.67 121.42 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.2 p -83.29 121.13 26.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -39.91 -60.94 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.7 m 59.26 35.55 23.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -90.39 -70.9 1.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 2.78 3.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.298 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.1 t -114.36 154.53 27.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.5 p -154.17 168.82 25.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 p -135.29 123.11 22.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.9 0.381 . . . . 0.0 110.833 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -168.41 145.32 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.11 112.14 0.51 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.445 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -84.28 -49.6 8.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.831 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 m -57.43 97.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.97 -158.08 28.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 159.01 55.03 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.372 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.76 143.18 50.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.426 ' HA ' ' CD ' ' A' ' 84' ' ' GLU . 5.4 ptp85 -109.79 138.27 46.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.595 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 65.0 m-85 -74.07 100.54 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.478 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 42.9 pt -71.38 -28.18 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -126.31 128.76 47.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -93.67 138.24 32.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.954 HG12 ' O ' ' A' ' 29' ' ' GLN . 21.0 m -59.54 158.85 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 25.6 mmtp -92.85 167.18 12.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.69 127.22 30.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.504 ' OE1' ' N ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -83.8 133.0 34.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -153.06 107.73 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.51 164.53 29.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -82.81 155.54 24.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' HG3' HG12 ' A' ' 92' ' ' VAL . 14.8 mt-10 -55.82 139.75 44.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.54 -0.5 88.31 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.07 179.32 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.7 m -117.43 111.24 19.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.93 159.08 29.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.645 HG22 ' HG2' ' A' ' 65' ' ' GLN . 92.1 t -142.74 112.28 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 8.3 mt -110.81 113.59 26.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.954 ' O ' HG12 ' A' ' 15' ' ' VAL . 79.4 mt-30 -111.02 151.04 28.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.39 179.08 9.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -142.24 149.77 40.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 mt -121.79 151.97 40.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.478 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -71.22 -11.19 60.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.0 t -162.72 140.93 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.65 119.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -166.19 151.66 7.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.572 0.701 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 177.35 5.65 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.5 m -150.83 164.47 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.635 ' CG ' HG23 ' A' ' 46' ' ' THR . 33.1 tt0 -135.02 93.67 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.545 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 99.5 m95 -64.2 118.26 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.584 ' CZ ' HG21 ' A' ' 80' ' ' VAL . 82.4 mtt180 -106.24 -174.74 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.596 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 8.3 tmtt? -169.09 133.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 33.45 49.83 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.4 m 66.48 51.86 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' OE2' ' CD ' ' A' ' 42' ' ' LYS . 2.1 pt-20 -156.49 142.47 18.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.635 HG23 ' CG ' ' A' ' 39' ' ' GLU . 86.5 m -89.18 131.15 35.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.9 mt -100.77 166.76 10.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.962 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -141.71 153.08 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.701 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -72.53 118.01 14.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -145.81 -139.87 3.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -76.57 -54.18 7.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.861 0.362 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -74.84 -42.43 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -90.72 140.19 30.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.472 ' C ' HD12 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -134.52 112.12 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.822 -179.826 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.701 HD13 ' CB ' ' A' ' 49' ' ' ASP . 2.7 mp -103.91 113.65 27.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -120.61 120.29 35.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 42.2 tt0 -118.06 145.24 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -131.87 67.58 1.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.13 -82.52 1.61 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 52.2 p -116.23 -17.43 10.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.351 . . . . 0.0 111.114 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -89.24 146.54 24.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 21.9 m -125.91 162.13 25.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -158.38 124.31 4.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.678 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -123.87 118.82 27.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.678 ' N ' HD22 ' A' ' 64' ' ' LEU . 21.4 mt-30 -107.19 134.66 49.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.3 mt -113.43 99.07 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.1 mtp85 -77.99 123.96 27.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.71 53.7 1.29 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.0 mt -67.62 138.56 56.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -148.33 171.88 15.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.465 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 7.6 mmt -56.65 -42.21 78.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.11 -37.02 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -62.07 -29.5 70.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.3 m -53.35 111.63 0.74 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.093 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.28 -125.7 0.82 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -145.03 123.7 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.639 ' CE1' HD23 ' A' ' 90' ' ' LEU . 2.0 m-85 -107.83 149.38 28.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 86' ' ' THR . 1.6 m -138.54 128.34 25.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.2 t -102.09 105.43 16.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.584 HG21 ' CZ ' ' A' ' 41' ' ' ARG . 1.9 t -93.25 148.97 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.595 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 29.4 p -122.9 -39.85 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.85 -71.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -100.54 -40.42 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.942 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.426 ' CD ' ' HA ' ' A' ' 10' ' ' ARG . 7.2 pt-20 -117.52 175.09 5.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -161.42 171.38 18.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 78' ' ' SER . 6.8 t -127.92 159.86 33.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.37 159.15 42.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.891 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -156.46 107.06 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.09 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 58.4 mmm -48.6 120.28 3.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.639 HD23 ' CE1' ' A' ' 77' ' ' TYR . 3.8 tp -100.49 121.93 42.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.601 ' N ' HD12 ' A' ' 90' ' ' LEU . 3.2 m -112.96 118.46 34.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.465 ' O ' ' CE ' ' A' ' 71' ' ' MET . 78.7 t -95.17 103.3 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -70.26 104.05 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.79 127.25 22.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.7 mt -55.05 155.85 7.97 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 98.15 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.634 2.223 . . . . 0.0 112.342 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 76.8 mt -60.77 -71.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -50.01 152.57 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -136.33 168.16 19.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 43.2 p 47.96 40.1 12.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -53.72 169.2 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.9 t -139.02 119.37 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 167.33 134.5 1.71 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 88.11 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.647 2.231 . . . . 0.0 112.402 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.4 t -49.59 101.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.8 m -127.83 147.67 50.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p -68.59 -49.61 58.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -46.44 143.63 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.72 -53.0 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -137.67 156.8 47.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 110.832 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -49.75 -53.27 26.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.65 -161.09 23.71 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 161.13 47.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.676 2.251 . . . . 0.0 112.293 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.92 137.68 53.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -114.3 144.2 43.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.594 ' CE2' ' SG ' ' A' ' 81' ' ' CYS . 80.4 m-85 -70.42 102.36 2.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 33' ' ' ASN . 43.3 pt -71.6 -30.13 37.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 12' ' ' ILE . 11.9 mm-40 -125.38 129.38 49.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -91.46 131.4 36.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.892 HG12 ' O ' ' A' ' 29' ' ' GLN . 32.7 m -55.06 159.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -97.64 150.9 20.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -45.19 139.52 3.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.542 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 6.6 tp-100 -99.33 136.31 39.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -152.05 119.65 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.69 145.79 24.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -69.37 145.77 52.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.476 ' O ' HD11 ' A' ' 95' ' ' LEU . 24.5 mt-10 -40.86 149.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.69 31.02 67.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.6 179.19 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.2 m -121.88 102.97 8.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.542 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -59.28 159.6 7.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.56 HG22 ' HG2' ' A' ' 65' ' ' GLN . 18.3 t -142.78 110.45 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.583 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 9.9 mt -107.96 112.58 25.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.892 ' O ' HG12 ' A' ' 15' ' ' VAL . 81.8 mt-30 -111.56 139.81 46.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.49 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 8.1 p -144.29 172.3 13.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -135.35 149.63 49.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 mt -122.25 151.23 41.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.477 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.0 OUTLIER -65.64 -23.89 66.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.414 ' C ' HG22 ' A' ' 60' ' ' THR . 8.6 t -150.53 142.36 23.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.583 ' N ' HG22 ' A' ' 60' ' ' THR . . . -47.35 116.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.067 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.56 154.96 14.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.551 0.691 . . . . 0.0 111.122 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 177.18 5.88 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.0 m -154.97 -179.29 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 80' ' ' VAL . 26.5 tt0 -151.82 107.46 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.685 ' HB3' HD12 ' A' ' 47' ' ' LEU . 92.3 m95 -75.74 119.16 19.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.505 ' HE ' HG21 ' A' ' 80' ' ' VAL . 84.1 mtt-85 -108.38 175.91 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.472 ' HD2' ' CZ ' ' A' ' 77' ' ' TYR . 5.9 tttm -169.14 105.05 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.48 48.48 43.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 p 63.86 28.78 14.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.853 0.359 . . . . 0.0 110.906 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 46' ' ' THR . 3.5 pt-20 -121.23 175.78 5.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.46 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 24.4 m -124.2 111.51 15.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 40' ' ' TRP . 11.4 mt -75.06 165.61 24.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -150.24 149.13 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.59 ' CA ' HD13 ' A' ' 55' ' ' LEU . 34.8 t0 -75.42 139.0 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.16 -118.88 0.46 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -97.14 -65.25 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -65.7 -31.93 73.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.411 ' CE2' HG12 ' A' ' 66' ' ' ILE . 29.1 m-85 -99.91 162.37 13.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -154.82 105.46 2.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.59 HD13 ' CA ' ' A' ' 49' ' ' ASP . 6.5 mp -101.52 101.82 12.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -103.61 175.46 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -168.99 139.42 2.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -130.2 77.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.45 -87.09 1.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.583 HG22 ' N ' ' A' ' 35' ' ' ALA . 39.3 p -113.98 -22.73 9.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 111.131 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -85.68 148.62 25.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.5 m -126.83 170.12 12.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -159.76 128.18 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.639 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.4 tm? -128.24 119.42 25.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.639 ' N ' HD22 ' A' ' 64' ' ' LEU . 28.0 mt-30 -108.06 136.54 47.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.411 HG12 ' CE2' ' A' ' 53' ' ' TYR . 22.6 mt -118.43 94.05 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.9 mtt-85 -76.59 134.34 39.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.53 44.98 3.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.0 mt -64.66 147.8 52.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.8 171.74 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.1 mmt -53.95 -31.45 50.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.98 -41.32 67.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.26 -33.91 65.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.0 m -45.59 104.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.13 -153.54 7.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.532 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -123.21 126.03 46.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.611 ' CE1' HD23 ' A' ' 90' ' ' LEU . 3.9 m-85 -108.82 150.09 28.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -138.49 121.45 16.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.518 ' HB3' HG22 ' A' ' 86' ' ' THR . 5.1 t -88.52 100.49 13.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.505 HG21 ' HE ' ' A' ' 41' ' ' ARG . 1.8 t -89.16 136.14 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.594 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 30.8 p -120.95 27.24 8.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.53 -72.55 0.3 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -108.74 -43.92 4.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.736 0.303 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -101.56 168.55 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -167.55 155.62 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.518 HG22 ' HB3' ' A' ' 79' ' ' CYS . 8.1 t -106.85 -174.0 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.422 ' N ' ' OG1' ' A' ' 86' ' ' THR . 1.4 p -159.52 149.01 18.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.79 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -160.38 109.43 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 75.1 mmm -54.83 132.27 45.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.611 HD23 ' CE1' ' A' ' 77' ' ' TYR . 7.9 tp -111.88 113.29 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 63.6 m -102.43 127.47 49.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.0 t -106.41 88.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 93' ' ' ARG . 6.0 mmm180 -58.28 109.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.05 130.03 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.476 HD11 ' O ' ' A' ' 22' ' ' GLU . 27.2 mt -67.17 143.27 97.55 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.555 0.693 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 106.51 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.318 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.495 ' O ' HG22 ' A' ' 97' ' ' ILE . 12.6 mt -78.0 45.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -154.33 135.24 13.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -67.96 163.35 22.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.2 m -60.57 -43.01 97.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -89.92 -177.85 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.5 t 63.65 45.23 4.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -125.88 144.87 15.41 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 0.15 6.07 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 106' ' ' SER . 97.5 p -47.26 174.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 105' ' ' SER . 10.4 m -37.81 -60.43 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 m -124.99 144.83 50.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 t -47.8 105.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.3 -133.74 6.76 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.5 p -66.62 158.02 31.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.968 0.413 . . . . 0.0 110.822 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -119.33 -44.81 2.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.2 -114.6 3.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.419 ' CB ' ' HG3' ' A' ' 83' ' ' GLN . 53.8 Cg_endo -69.77 160.53 49.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.654 2.236 . . . . 0.0 112.354 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.28 146.1 29.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 7.1 ptt-85 -120.75 140.89 51.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 81' ' ' CYS . 69.4 m-85 -73.52 93.13 1.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.612 HD11 ' HG2' ' A' ' 31' ' ' GLU . 43.7 pt -60.58 -30.8 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -121.9 132.92 54.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -101.55 127.97 48.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.905 HG12 ' O ' ' A' ' 29' ' ' GLN . 22.3 m -53.07 170.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -178.99 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -65.65 141.42 58.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.535 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 5.5 tp-100 -103.0 133.27 48.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -146.3 126.51 13.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.404 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -160.33 136.89 8.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -65.39 144.06 57.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.482 ' O ' HD11 ' A' ' 95' ' ' LEU . 19.2 mt-10 -40.21 149.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.62 22.86 77.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -118.34 -175.15 2.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.883 0.373 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.5 m -127.88 107.96 10.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.535 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -61.09 158.51 13.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.533 HG22 ' HG2' ' A' ' 65' ' ' GLN . 19.2 t -140.29 117.03 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.422 HD12 HD12 ' A' ' 64' ' ' LEU . 12.1 mt -116.07 119.17 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.905 ' O ' HG12 ' A' ' 15' ' ' VAL . 82.9 mt-30 -118.17 141.97 47.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 1.6 p -148.99 170.12 19.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.612 ' HG2' HD11 ' A' ' 12' ' ' ILE . 3.5 tp10 -126.23 159.72 32.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.6 mt -128.3 146.09 50.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.431 ' ND2' ' HG2' ' A' ' 10' ' ' ARG . 20.5 p-10 -64.29 -15.52 60.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.9 t -162.77 149.68 13.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.06 107.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.495 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -155.99 153.22 25.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 111.089 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 176.18 7.13 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.6 m -151.53 166.36 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.51 ' CG ' HG23 ' A' ' 46' ' ' THR . 11.5 tt0 -134.96 92.34 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.787 ' CD1' HD22 ' A' ' 55' ' ' LEU . 98.5 m95 -60.77 113.14 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.557 ' HE ' HG21 ' A' ' 80' ' ' VAL . 65.1 mtt-85 -101.9 -177.42 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 45' ' ' GLU . 28.2 tttt -169.69 137.48 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 34.56 39.93 0.17 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.509 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 t 73.99 42.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 110.831 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 42' ' ' LYS . 2.9 pt-20 -144.1 155.6 44.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.51 HG23 ' CG ' ' A' ' 39' ' ' GLU . 98.3 m -99.68 128.76 45.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.157 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.46 HD11 ' HB2' ' A' ' 42' ' ' LYS . 5.9 mt -103.35 169.01 8.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.401 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 17.4 mmm180 -148.96 146.34 27.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.18 135.78 57.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.12 -129.35 1.09 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -83.5 -55.14 4.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -76.56 -44.24 35.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -91.53 140.54 29.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.75 98.62 4.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.024 HD23 HD23 ' A' ' 64' ' ' LEU . 5.2 mt -98.12 122.48 41.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -128.18 125.27 38.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 24.0 tt0 -126.02 142.35 51.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -134.7 64.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.87 -92.91 1.49 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.5 p -105.86 -20.61 13.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.427 ' HG2' ' CD ' ' A' ' 31' ' ' GLU . 4.2 mtpm? -84.74 148.92 26.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.0 m -138.28 148.51 44.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -143.73 143.4 31.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.827 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.024 HD23 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -144.3 115.68 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.786 ' N ' HD22 ' A' ' 64' ' ' LEU . 38.3 mt-30 -104.78 148.72 26.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.7 mt -123.84 98.9 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -80.71 122.06 26.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.55 50.95 0.88 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.52 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.404 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 72.3 mt -69.11 141.01 54.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.16 159.98 35.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.405 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 11.1 mmt -42.21 -32.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.82 -44.85 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.8 -29.08 53.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.8 m -51.21 107.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.82 -143.13 3.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.514 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -131.35 133.16 45.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.45 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 23.3 m-85 -115.24 140.76 48.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m -130.95 120.45 23.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.9 t -92.61 104.7 16.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.557 HG21 ' HE ' ' A' ' 41' ' ' ARG . 2.3 t -92.82 145.51 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . 27.6 p -118.62 -36.83 3.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 175.15 -62.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.503 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.419 ' HG3' ' CB ' ' A' ' 8' ' ' PRO . 34.5 mm-40 -105.35 -37.77 6.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.917 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -120.41 169.31 10.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.543 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 16.9 ptt-85 -159.21 162.48 36.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.4 t -109.79 179.82 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.86 145.25 15.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.594 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -161.42 117.65 2.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.058 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.33 138.36 58.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 tp -112.32 110.68 21.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.0 m -94.3 126.53 39.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.405 ' O ' ' CE ' ' A' ' 71' ' ' MET . 84.2 t -105.52 90.94 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -63.83 106.33 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.36 142.89 5.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.482 HD11 ' O ' ' A' ' 22' ' ' GLU . 19.1 mt -80.7 143.27 54.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 104.22 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.383 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 66.9 mt -59.81 -62.95 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -54.2 144.5 19.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -101.84 179.48 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.512 ' O ' HG22 ' A' ' 100' ' ' THR . 13.3 m 40.95 41.16 1.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -128.68 161.41 29.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.9 t -159.34 123.8 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 123.21 143.35 6.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -35.14 13.33 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 34.0 t -89.27 135.96 33.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.5 p -168.45 126.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.931 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 p -125.39 167.36 15.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -123.79 168.76 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.38 107.34 0.2 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -40.47 132.46 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -85.45 109.81 18.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.12 -154.61 18.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 158.85 55.49 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.339 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.666 ' HB3' ' SG ' ' A' ' 81' ' ' CYS . . . -84.19 146.97 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.494 ' CB ' ' OE2' ' A' ' 84' ' ' GLU . 17.1 ptt180 -118.29 132.62 56.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' A' ' 85' ' ' ARG . 70.9 m-85 -68.85 97.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.493 HD11 ' HG2' ' A' ' 31' ' ' GLU . 47.4 pt -66.64 -31.32 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -129.98 130.1 44.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -92.12 138.8 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.922 HG23 ' HB2' ' A' ' 88' ' ' ALA . 25.6 m -56.19 157.62 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -95.77 154.05 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -46.68 143.55 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.522 ' CG ' HD13 ' A' ' 90' ' ' LEU . 6.5 tp-100 -105.08 142.48 34.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -159.34 136.05 9.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.06 151.45 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -72.03 144.5 48.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.439 ' HG3' HG12 ' A' ' 92' ' ' VAL . 24.6 mt-10 -43.52 141.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.05 29.88 40.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.37 178.42 4.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 111.091 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.2 m -116.65 108.76 16.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.61 164.31 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.0 t -149.92 113.85 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 10.0 mt -114.07 117.1 30.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.825 ' O ' HG12 ' A' ' 15' ' ' VAL . 75.9 mt-30 -116.13 143.56 45.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.0 p -145.39 169.32 18.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.493 ' HG2' HD11 ' A' ' 12' ' ' ILE . 31.6 tt0 -132.72 142.64 49.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.411 HD21 ' CE1' ' A' ' 11' ' ' PHE . 9.4 mt -116.78 147.97 41.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.489 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . 1.1 t30 -61.78 -22.58 65.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 35' ' ' ALA . 4.6 t -160.13 141.25 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.503 ' N ' HG22 ' A' ' 60' ' ' THR . . . -33.29 122.3 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 9' ' ' ALA . . . -165.88 149.88 7.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.603 0.716 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 177.0 6.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.326 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.8 m -155.51 158.61 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.662 ' CG ' HG23 ' A' ' 46' ' ' THR . 29.9 tt0 -133.46 84.03 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 28' ' ' LEU . 96.5 m95 -53.7 117.7 3.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 45' ' ' GLU . 75.1 mtt180 -103.12 -178.06 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.589 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 8.4 tmtt? -164.48 128.22 2.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . 36.42 45.68 0.98 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.5 t 71.93 50.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 41' ' ' ARG . 2.4 pt-20 -156.78 149.09 23.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.662 HG23 ' CG ' ' A' ' 39' ' ' GLU . 99.4 m -90.8 133.32 35.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.5 mt -98.44 170.77 8.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -150.26 147.45 27.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.514 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -75.98 115.42 15.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.4 -127.74 2.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.88 -51.91 6.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -80.02 -42.12 24.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -85.1 160.28 20.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -153.32 105.06 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HG ' HD23 ' A' ' 64' ' ' LEU . 6.7 mp -103.78 100.82 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 -102.83 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -171.65 137.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -128.79 75.34 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.0 -89.49 1.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.503 HG22 ' N ' ' A' ' 35' ' ' ALA . 62.5 p -110.04 -23.91 11.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 111.133 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -85.32 147.12 26.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.948 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 76.2 m -125.43 171.32 10.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -158.4 137.63 11.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.613 HD22 ' N ' ' A' ' 65' ' ' GLN . 1.4 tm? -138.42 117.7 12.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.613 ' N ' HD22 ' A' ' 64' ' ' LEU . 20.6 mt-30 -107.91 139.47 42.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.1 mt -121.02 117.39 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -93.21 135.47 34.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.84 50.96 2.95 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.1 mt -66.69 107.06 2.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -124.6 164.96 18.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.481 ' CE ' ' O ' ' A' ' 92' ' ' VAL . 10.5 mmt -45.37 -30.64 1.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.94 -44.2 73.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.53 -33.58 55.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.0 m -48.85 117.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -174.81 -134.29 1.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -140.8 116.39 10.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.589 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 18.8 m-85 -99.99 141.31 32.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -133.88 125.13 27.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.4 t -94.59 100.15 12.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.516 HG13 ' HE ' ' A' ' 85' ' ' ARG . 2.5 t -91.7 135.43 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.666 ' SG ' ' HB3' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -108.03 -46.01 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.12 -65.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -104.88 -40.5 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' OE2' ' CB ' ' A' ' 10' ' ' ARG . 6.0 pt-20 -117.75 169.91 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -160.78 169.0 23.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.1 t -118.43 -178.09 3.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.9 p -159.37 152.35 21.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.922 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -155.13 105.05 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.064 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 77.1 mmm -50.48 129.31 21.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.566 HD23 ' CE1' ' A' ' 77' ' ' TYR . 14.0 tp -108.17 119.5 39.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.7 m -107.2 119.7 40.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.481 ' O ' ' CE ' ' A' ' 71' ' ' MET . 85.8 t -102.42 88.12 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -59.77 107.78 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.02 142.94 28.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 72.8 mt -73.4 147.83 87.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.587 0.708 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 105.01 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.653 2.235 . . . . 0.0 112.386 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.2 mt -60.01 -48.68 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -152.24 127.03 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.436 ' O ' ' C ' ' A' ' 100' ' ' THR . 14.5 p90 -90.37 78.5 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 99' ' ' PHE . 12.5 t 34.04 37.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 99' ' ' PHE . 21.8 tt0 -63.9 -45.72 88.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.6 p -119.98 129.83 54.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -176.25 -95.54 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.54 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -179.59 3.03 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.622 2.214 . . . . 0.0 112.358 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.5 t -141.22 160.77 39.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.7 m -71.68 126.63 30.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -180.0 . . . . . . . . 0 0 . 1 stop_ save_