data_2rmx_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 2rmx _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.552 ' CE3' HG22 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -123.26 24.73 8.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.807 0.337 . . . . 0.0 110.915 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.404 ' OH ' ' CG ' ' A' ' 35' ' ' GLU . 6.2 t80 -98.01 114.3 26.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -92.59 -57.97 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.28 -127.88 9.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -46.06 119.14 2.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.5 ttm -174.7 150.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.5 m -109.75 152.61 25.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.43 -69.48 0.77 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.457 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.86 -27.12 3.15 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.493 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 18' ' ' ALA . 26.4 tt0 -68.6 -65.3 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.69 0.281 . . . . 0.0 110.858 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.35 -50.45 1.04 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -46.18 -49.01 17.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.3 m -60.29 -62.84 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mp -46.45 -47.1 19.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.44 -65.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -45.63 -35.85 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.77 97.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -34.72 67.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.98 29.62 73.08 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.418 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -118.97 123.56 28.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 143.4 50.4 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.741 2.294 . . . . 0.0 112.295 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.495 ' CD2' ' HB2' ' A' ' 106' ' ' TYR . 6.9 m95 67.26 31.06 6.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.6 m -92.33 97.03 10.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 26.3 p90 -88.74 159.08 17.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.831 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -163.0 130.51 3.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.552 HG22 ' CE3' ' A' ' 8' ' ' TRP . 17.8 t -91.35 139.9 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.402 ' NH1' ' HB ' ' A' ' 44' ' ' VAL . 2.9 ptm180 -150.05 148.33 28.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.404 ' CG ' ' OH ' ' A' ' 9' ' ' TYR . 33.2 mt-10 -80.78 125.07 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.863 -179.78 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.556 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 13.5 t70 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.849 0.356 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 42' ' ' ASP . 3.6 m-85 -145.82 176.09 9.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.405 HG21 ' C ' ' A' ' 43' ' ' PHE . 74.6 t -145.84 136.68 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.8 tp -111.47 97.16 6.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.0 m -87.47 138.36 31.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.46 ' CG1' HG12 ' A' ' 105' ' ' VAL . 71.8 t -143.25 133.85 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.166 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.0 tp -89.62 96.11 10.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.6 p -58.01 152.57 16.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -77.18 1.23 18.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.954 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -90.85 112.54 54.01 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.529 0.681 . . . . 0.0 110.923 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.52 68.18 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -57.91 -45.19 86.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.932 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.75 -72.91 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -147.72 -154.31 6.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 83.75 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.712 2.275 . . . . 0.0 112.361 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.58 -26.24 0.52 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -76.06 155.78 84.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.675 0.75 . . . . 0.0 110.842 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 114.43 3.71 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.63 2.22 . . . . 0.0 112.331 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.1 mt -39.05 146.38 0.08 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -70.04 153.94 42.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.536 HG12 ' CE1' ' A' ' 64' ' ' HIS . 4.6 t -117.29 124.52 73.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.2 m -95.52 108.48 20.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.536 ' CE1' HG12 ' A' ' 62' ' ' VAL . 82.6 m-70 -96.79 114.51 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.9 mt -123.44 122.69 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -74.6 125.73 29.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 50.3 t -100.73 101.5 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.8 mtm -66.73 169.91 7.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.7 t -136.0 132.08 35.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -122.15 87.99 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.77 52.13 54.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.78 -38.66 3.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.499 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -75.4 174.67 9.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.522 ' CE2' HD23 ' A' ' 85' ' ' LEU . 29.4 m-85 -138.13 148.18 44.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 t -148.3 160.48 42.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.465 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 34.9 m -125.77 91.13 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 48.65 18.24 0.96 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.443 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -124.22 163.54 17.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.462 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 76.7 mt -76.21 -20.43 57.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.26 169.45 15.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.7 p -145.56 172.77 12.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.488 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 78.3 m-85 -148.79 135.9 20.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.05 -52.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.468 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 7.1 t -162.02 178.14 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.522 HD23 ' CE2' ' A' ' 74' ' ' TYR . 3.4 mm? -45.76 -30.49 1.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.0 m -65.24 -59.71 3.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -60.76 -38.43 85.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.488 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 8.6 tt -65.7 -65.59 0.66 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.9 t -50.49 -57.7 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -44.74 -55.61 5.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -57.01 -22.49 39.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.9 m-85 -93.8 -24.05 17.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -67.99 -17.52 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -104.81 -32.87 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.974 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 96' ' ' GLY . 45.2 p -98.29 -69.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.413 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . 118.21 156.96 10.4 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.564 HG13 ' CD1' ' A' ' 92' ' ' PHE . 21.1 mt -99.42 137.99 25.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.738 0.304 . . . . 0.0 111.176 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.592 ' OE1' ' CD1' ' A' ' 104' ' ' PHE . 4.6 tp10 -102.33 128.98 48.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 102' ' ' GLY . 19.4 mt-10 -97.08 128.95 44.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' GLU . . . -34.17 -40.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.0 m -54.15 -48.11 71.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.825 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 133.84 29.2 0.47 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.494 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -116.91 150.05 39.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.352 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.592 ' CD1' ' OE1' ' A' ' 98' ' ' GLU . 10.2 m-85 -118.46 108.36 14.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.46 HG12 ' CG1' ' A' ' 47' ' ' VAL . 77.9 t -73.74 136.16 25.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.187 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.495 ' HB2' ' CD2' ' A' ' 29' ' ' TRP . 18.8 m-85 -117.55 141.46 48.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.562 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.4 mp -122.44 90.63 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.461 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 33.3 mtp85 -85.49 -43.78 13.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -144.44 141.66 18.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 54.0 Cg_endo -69.68 -164.71 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.349 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -130.09 111.25 12.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.493 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 16.9 m-85 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.33 178.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 mp -124.39 -174.33 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.492 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -115.02 27.29 9.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.775 0.321 . . . . 0.0 110.892 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -105.6 125.1 50.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -108.48 -61.92 1.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 12' ' ' HIS . . . 85.59 167.36 43.3 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.468 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 11' ' ' GLY . 10.5 m80 36.98 47.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.6 ttm -130.28 137.9 50.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 p -95.47 179.36 5.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.94 -61.29 4.1 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.5 -29.65 1.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.511 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.439 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 32.4 tp60 -72.7 -64.7 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -38.63 -43.21 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -54.59 -45.6 73.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 78.5 m -64.43 -56.04 16.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.463 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 4.9 mp -53.92 -52.48 60.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.6 mt -59.0 -62.53 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -47.8 -49.1 29.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.74 -41.74 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -55.34 -35.39 65.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.65 28.61 71.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -116.17 121.92 32.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 143.22 50.03 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.351 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.53 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.1 m95 70.42 28.11 3.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.2 m -90.28 99.4 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 110' ' ' PRO . 21.4 p90 -91.71 162.76 14.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.56 137.34 5.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.492 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 21.8 t -98.31 136.79 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.4 ptt85 -148.85 164.25 35.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -96.59 166.29 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.805 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.543 ' CD2' HD21 ' A' ' 85' ' ' LEU . 8.9 m-85 -129.66 175.29 8.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.8 t -148.78 143.84 18.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.4 tp -119.87 117.66 28.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 m -107.87 145.18 34.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.403 HG22 ' CB ' ' A' ' 31' ' ' PHE . 97.0 t -146.75 141.89 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.9 tp -98.74 97.93 9.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 p -60.2 150.47 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.445 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -72.29 -4.99 32.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.889 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -84.27 112.33 40.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.587 0.708 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 147.43 62.47 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 5.9 mtpm? -54.83 -57.24 12.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.62 -45.99 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.99 -147.75 9.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 88.22 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.296 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.5 -30.05 1.3 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.529 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 p -79.18 155.3 77.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.685 0.755 . . . . 0.0 110.859 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 114.64 3.76 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.752 2.301 . . . . 0.0 112.327 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.9 mt -37.31 149.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.5 tpt85 -69.63 147.48 50.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.402 HG12 ' CE1' ' A' ' 64' ' ' HIS . 42.1 t -115.4 125.5 72.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.7 m -99.45 117.83 34.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.402 ' CE1' HG12 ' A' ' 62' ' ' VAL . 59.6 m-70 -105.85 114.68 28.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.1 mt -118.43 131.38 71.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -72.39 141.59 48.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.0 t -115.42 99.36 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 29.4 mtm -71.7 157.9 37.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 46.7 t -116.5 115.13 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -101.89 88.72 3.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 49.98 69.33 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.07 -34.63 2.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -81.35 -178.27 6.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.427 ' CE1' ' CE1' ' A' ' 43' ' ' PHE . 27.4 m-85 -140.11 147.14 39.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.6 t -152.06 163.33 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.2 m -126.36 86.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.74 -76.05 2.24 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.75 176.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.9 mt -84.65 -17.65 37.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.829 0.347 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.431 ' O ' ' CG2' ' A' ' 81' ' ' THR . 17.8 mt-10 -46.34 172.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 80.7 p -158.87 153.01 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.508 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 64.4 m-85 -134.09 140.46 46.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -45.81 -33.26 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.9 m -172.97 -177.6 1.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.543 HD21 ' CD2' ' A' ' 43' ' ' PHE . 3.7 mm? -52.06 -28.33 16.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.9 m -66.07 -58.68 4.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.449 ' CB ' ' HB3' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -58.4 -35.01 71.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.508 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.2 tt -69.9 -59.83 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 92' ' ' PHE . 65.7 t -58.32 -61.73 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -43.56 -54.94 4.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -61.01 -22.89 64.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 89' ' ' VAL . 4.4 m-85 -93.7 -15.27 25.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -74.31 -16.59 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -106.33 -37.47 6.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.9 p -90.09 -45.39 9.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.36 169.18 40.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.7 mt -110.54 136.11 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.544 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 25.1 tt0 -105.62 111.48 24.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 102' ' ' GLY . 77.8 mt-10 -69.91 137.5 51.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 99' ' ' GLU . . . -34.33 -58.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -47.7 -43.27 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 146.53 -35.24 1.33 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.458 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.39 152.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 0.0 111.109 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.9 m-85 -125.05 120.54 31.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.813 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 106' ' ' TYR . 98.2 t -90.46 136.51 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.53 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.1 m-85 -119.88 133.12 55.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.447 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.1 mp -111.51 90.3 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -85.82 -48.65 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.2 pm0 -142.59 142.2 22.5 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.548 0.69 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 53.6 Cg_endo -69.76 -164.17 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.463 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 77.5 t80 -130.67 125.04 32.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.983 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.88 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.833 0.349 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.66 -177.43 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.81 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.479 ' CD1' ' N ' ' B' ' 11' ' ' LEU . 0.4 OUTLIER -113.91 172.49 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . 0.539 ' C ' ' ND2' ' B' ' 12' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.559 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -116.22 25.43 10.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.713 0.292 . . . . 0.0 110.829 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -97.18 121.78 39.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.461 ' CD2' HD11 ' A' ' 32' ' ' LEU . 54.5 m-70 -97.41 -53.04 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.99 -106.79 3.43 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.415 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 1.1 p80 -69.43 107.38 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.401 ' CE ' HD13 ' A' ' 32' ' ' LEU . 16.2 ttp -175.12 131.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.2 m -84.84 -178.6 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.797 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 17' ' ' GLN . . . -70.35 -73.03 0.81 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.39 -26.38 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.543 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 15' ' ' GLY . 19.6 tt0 -67.23 -65.97 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -37.98 -39.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -58.25 -43.27 87.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' GLN . 70.5 m -68.48 -44.99 73.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.455 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 5.1 mp -64.81 -37.97 89.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.9 mt -76.64 -56.91 4.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.413 ' CG ' ' HB2' ' A' ' 59' ' ' PRO . 90.9 mt-30 -53.65 -44.28 69.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.86 -39.27 71.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -61.71 -41.22 97.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.89 24.11 76.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -108.6 122.4 40.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 143.91 52.31 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.556 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.8 m95 67.15 36.47 4.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 99.0 m -99.86 96.68 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.166 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.506 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 14.1 p90 -92.15 164.82 13.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.833 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD11 ' CD2' ' A' ' 10' ' ' HIS . 1.8 pp -166.76 137.89 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.559 HG21 ' CE3' ' A' ' 8' ' ' TRP . 59.7 t -93.6 142.0 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -158.82 147.3 18.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -80.11 158.46 26.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.835 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.797 0.332 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.448 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 43.5 m-85 -90.94 155.76 18.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 45' ' ' LEU . 21.2 t -133.79 144.82 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.458 ' N ' HG13 ' A' ' 44' ' ' VAL . 32.5 tp -119.06 108.33 14.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.6 m -103.15 134.38 46.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.45 ' CG1' HG11 ' A' ' 105' ' ' VAL . 85.3 t -136.75 143.59 34.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 tp -98.96 98.92 9.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.4 p -60.15 155.2 17.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.509 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.7 OUTLIER -75.89 -0.49 21.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -90.29 115.67 64.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.537 0.684 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 150.84 68.89 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.655 2.237 . . . . 0.0 112.357 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -57.43 -50.69 72.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.25 -45.93 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.055 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.77 -145.99 7.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 93.02 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.642 2.228 . . . . 0.0 112.322 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 140.96 -31.59 2.18 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.8 p -75.86 153.76 85.01 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.701 0.762 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 60' ' ' LEU . 53.7 Cg_endo -69.72 115.73 4.22 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.72 2.28 . . . . 0.0 112.384 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 59' ' ' PRO . 46.3 mt -35.62 153.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 -74.79 145.48 42.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.09 135.95 49.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 65.1 m -111.27 108.36 17.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -91.98 119.74 31.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 37.5 mt -118.27 129.01 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -85.4 104.09 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.9 t -79.02 115.03 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 25.7 mtm -86.49 149.62 24.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.3 t -111.46 120.06 40.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -108.82 84.92 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.29 54.11 36.98 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.98 -36.4 3.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -80.37 166.65 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.565 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 24.1 m-85 -121.6 139.92 52.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.988 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.6 t -139.97 148.07 41.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 76' ' ' VAL . 30.0 m -112.62 88.04 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 46.94 28.43 3.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -133.77 160.69 24.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.24 -19.27 62.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.46 177.62 3.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.7 p -151.03 171.33 17.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 84.0 m-85 -148.39 127.72 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 82' ' ' PHE . 3.4 m-20 -34.44 -55.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.432 ' HA ' ' CE2' ' A' ' 74' ' ' TYR . 6.9 t -153.61 -175.3 5.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.565 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 4.4 mm? -54.49 -33.76 60.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.9 m -60.98 -56.84 16.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.22 -44.22 95.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.893 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.9 tt -63.6 -65.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.5 t -50.7 -58.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -45.51 -56.42 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -56.24 -21.34 22.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.483 ' CD1' HG13 ' A' ' 97' ' ' ILE . 4.6 m-85 -93.79 -24.19 17.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -67.21 -20.71 65.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -104.73 -41.0 5.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 68.1 p -82.16 -55.0 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.33 162.61 21.72 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.46 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.483 HG13 ' CD1' ' A' ' 92' ' ' PHE . 46.3 mt -116.39 133.1 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.55 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 17.9 tt0 -104.92 133.64 49.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -95.08 143.15 26.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -38.01 -65.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.7 p -41.5 -37.11 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.13 -32.54 2.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.43 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.85 154.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.1 m-85 -126.66 120.25 29.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.45 HG11 ' CG1' ' A' ' 47' ' ' VAL . 93.6 t -92.28 134.66 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.556 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.7 m-85 -121.92 137.11 54.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.506 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.7 mp -113.28 99.96 8.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.826 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.457 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 37.4 mtp180 -96.77 -45.38 6.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -143.54 143.5 24.06 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.548 0.69 . . . . 0.0 110.956 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -164.08 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 91.2 t80 -141.89 109.88 5.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 -179.887 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.836 0.351 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.83 -175.09 3.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.453 HD22 ' CG2' ' A' ' 97' ' ' ILE . 63.2 mt -111.68 -175.14 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.579 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -115.05 26.91 9.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 0.0 110.943 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.551 ' CD1' HG11 ' A' ' 33' ' ' VAL . 8.3 t80 -106.91 99.15 8.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -71.86 -60.47 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.3 -114.94 2.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.513 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 3.3 p80 -76.35 119.95 20.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 110.84 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.446 ' HG2' ' N ' ' A' ' 14' ' ' SER . 35.5 ttm -173.49 149.83 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.446 ' N ' ' HG2' ' A' ' 13' ' ' MET . 6.7 p -108.18 159.15 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -49.06 -60.53 6.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.4 -36.44 2.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.533 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 11.5 tp60 -71.22 -64.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -38.28 -44.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -55.72 -46.1 77.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.1 m -63.19 -50.99 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.406 ' CD1' ' O ' ' A' ' 17' ' ' GLN . 5.2 mp -58.28 -47.11 84.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.2 mt -64.58 -58.12 7.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -53.28 -36.06 60.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.67 -32.29 73.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -66.49 -41.98 88.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.801 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.33 3.03 60.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -90.12 118.83 69.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 142.04 46.92 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.48 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.3 m95 73.58 26.57 1.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.1 m -89.01 100.38 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.506 ' CG ' HD21 ' A' ' 107' ' ' LEU . 18.4 p90 -93.49 152.48 19.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -156.23 134.89 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.579 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 17.1 t -92.71 141.54 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -150.08 162.01 41.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -94.11 138.97 31.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.748 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.864 0.364 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.555 ' CD2' HD23 ' A' ' 85' ' ' LEU . 6.0 m-85 -118.24 171.48 8.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.3 t -145.44 141.79 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 tp -116.71 122.04 43.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -107.49 148.59 28.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG22 ' CB ' ' A' ' 31' ' ' PHE . 74.0 t -152.37 133.23 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.1 tp -91.2 96.89 10.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 p -57.18 152.24 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.457 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 14.4 t70 -77.51 1.19 20.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -96.47 121.04 61.11 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.555 0.693 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 147.62 63.69 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.383 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -54.74 -45.42 74.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.42 -49.01 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.044 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.82 -148.12 8.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 86.24 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.3 -27.5 1.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.53 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.1 p -82.59 153.47 67.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.683 0.754 . . . . 0.0 110.816 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.0 Cg_endo -69.76 116.25 4.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' PRO . 57.9 mt -33.94 146.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -73.42 147.17 44.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' CE1' ' A' ' 64' ' ' HIS . 60.9 t -112.48 117.74 56.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.0 m -88.98 109.83 20.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.5 ' CE1' ' CG1' ' A' ' 62' ' ' VAL . 76.6 m-70 -99.3 109.29 21.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.3 mt -111.28 128.25 67.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -72.59 134.56 45.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.2 t -109.88 94.29 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.7 mtm -73.17 165.27 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 33.4 t -122.6 126.58 48.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -129.06 118.45 22.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.45 27.9 68.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.06 -19.59 52.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.416 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.424 ' CB ' ' HB ' ' A' ' 81' ' ' THR . 1.7 mpt_? -88.96 -178.38 5.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.519 ' OH ' ' CZ ' ' A' ' 43' ' ' PHE . 31.7 m-85 -120.63 143.98 48.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -142.87 169.76 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.6 m -134.64 88.88 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 53.37 20.1 9.93 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -132.62 165.47 23.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.553 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.7 mt -76.6 -15.83 59.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.736 0.303 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -67.6 168.52 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.424 ' HB ' ' CB ' ' A' ' 73' ' ' ARG . 65.6 p -151.62 158.26 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.536 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 60.0 m-85 -135.11 131.66 37.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 82' ' ' PHE . 2.0 m-20 -34.27 -43.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.472 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 3.1 m -166.63 176.99 6.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.555 HD23 ' CD2' ' A' ' 43' ' ' PHE . 4.1 mm? -45.13 -29.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.0 m -67.11 -57.11 7.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.81 -29.56 68.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.536 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 8.4 tt -77.06 -64.85 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.452 HG13 ' CE2' ' A' ' 31' ' ' PHE . 96.8 t -53.1 -58.0 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -44.9 -57.99 3.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -54.23 -22.14 10.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.475 ' CD1' HG13 ' A' ' 97' ' ' ILE . 2.6 m-85 -93.56 -21.0 19.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -71.92 -15.32 62.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -106.23 -36.68 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.3 p -95.24 -63.0 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.51 158.6 16.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.541 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.475 HG13 ' CD1' ' A' ' 92' ' ' PHE . 22.1 mt -99.59 146.32 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 111.181 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.518 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 29.7 tt0 -119.0 111.53 18.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -78.36 136.96 37.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 101' ' ' SER . . . -43.0 -55.72 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 100' ' ' ALA . 1.7 t -37.04 -48.79 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.09 29.92 0.33 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -114.72 155.62 26.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 10.5 m-85 -124.81 117.14 23.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.426 ' CG1' ' CG1' ' A' ' 47' ' ' VAL . 85.1 t -88.19 136.98 21.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.48 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 20.0 m-85 -121.07 143.42 49.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.506 HD21 ' CG ' ' A' ' 31' ' ' PHE . 2.4 mp -121.86 93.28 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.45 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 22.2 mtp85 -88.39 -49.03 7.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -140.37 143.48 33.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.72 . . . . 0.0 110.962 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.486 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.82 -166.79 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -132.03 112.11 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.486 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.3 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.888 0.375 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.65 -179.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mp -119.53 -174.28 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.874 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.566 ' CE3' HG23 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -114.42 28.64 8.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.75 0.31 . . . . 0.0 110.93 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -104.86 110.23 22.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.44 ' CG ' ' HE3' ' A' ' 13' ' ' MET . 32.5 m-70 -85.54 -53.24 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.2 -92.17 1.08 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -75.11 97.91 3.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 110.816 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.44 ' HE3' ' CG ' ' A' ' 10' ' ' HIS . 34.6 ttm -153.74 152.82 31.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.4 m -120.44 155.76 32.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.75 -69.29 0.89 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.538 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.51 -30.26 3.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' THR . 6.8 tt0 -72.63 -65.34 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 110.963 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -35.69 -46.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -57.11 -47.18 81.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' GLN . 91.4 m -60.05 -47.44 85.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.18 -47.09 87.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.0 mt -66.47 -63.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -48.2 -47.91 35.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.46 -42.65 74.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -55.63 -34.89 65.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.97 22.2 64.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -108.53 120.59 45.94 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.635 0.731 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 143.36 50.31 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.8 m95 69.07 32.99 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 85.2 m -97.11 97.26 9.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.535 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 26.8 p90 -91.55 155.5 18.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -158.93 129.8 6.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.566 HG23 ' CE3' ' A' ' 8' ' ' TRP . 6.0 t -88.81 143.02 12.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.059 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -153.74 124.89 7.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -39.82 160.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.768 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t70 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.79 0.328 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -130.86 172.29 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.5 t -144.76 145.58 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.407 HD23 ' CD1' ' A' ' 97' ' ' ILE . 15.5 tp -118.61 90.19 3.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 t -84.63 136.41 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.83 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.462 ' CG1' HG13 ' A' ' 105' ' ' VAL . 74.9 t -140.05 140.7 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.436 ' CD1' HG23 ' A' ' 62' ' ' VAL . 23.3 tp -95.26 96.14 8.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 p -59.21 144.59 45.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.558 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.5 OUTLIER -68.17 -3.5 10.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -87.62 115.91 64.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.516 0.674 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 150.72 68.65 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.33 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -59.49 -46.17 89.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.09 -48.97 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.01 -148.62 9.02 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.495 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 83.15 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.71 -24.97 0.74 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.427 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.5 p -84.6 153.2 61.29 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 60' ' ' LEU . 53.8 Cg_endo -69.72 114.1 3.59 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.3 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 59' ' ' PRO . 83.6 mt -34.52 147.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -70.04 146.27 51.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.436 HG23 ' CD1' ' A' ' 48' ' ' LEU . 59.3 t -113.34 115.16 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 78.6 m -85.82 121.64 28.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -107.58 106.52 16.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.7 mt -114.28 125.2 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -78.3 136.14 37.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.952 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 74' ' ' TYR . 21.4 t -108.46 99.31 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 20.5 mtm -67.54 151.1 47.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.2 t -131.58 115.84 16.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -112.65 103.89 11.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.91 -42.45 2.7 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 174.72 -26.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -79.95 164.79 23.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.371 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.558 ' CE2' HD21 ' A' ' 85' ' ' LEU . 28.5 m-85 -118.35 141.98 47.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.1 t -147.72 156.58 42.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.2 m -121.39 87.55 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.64 23.77 7.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.24 158.93 21.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 23.5 mt -71.91 -17.01 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 81' ' ' THR . 9.6 mt-10 -67.54 178.96 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 64.0 p -160.13 158.12 29.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.501 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 63.8 m-85 -138.88 145.56 40.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.26 -51.95 30.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.491 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 3.2 m -158.04 179.22 9.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.558 HD21 ' CE2' ' A' ' 74' ' ' TYR . 4.4 mm? -47.72 -33.42 6.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.7 m -65.1 -55.03 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -62.02 -37.19 83.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.501 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.7 tt -70.57 -65.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 72.4 t -48.81 -57.75 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -44.94 -55.42 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -58.01 -21.6 45.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -93.64 -24.52 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -66.54 -17.8 65.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -106.43 -37.08 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 65.0 p -90.12 -59.99 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.59 155.89 23.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.578 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.407 ' CD1' HD23 ' A' ' 45' ' ' LEU . 22.9 mt -98.83 143.78 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.731 0.3 . . . . 0.0 111.149 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.411 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 26.8 tt0 -113.45 111.34 21.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -78.58 137.45 37.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -38.68 -55.87 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.4 p -40.9 -39.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 126.36 21.55 1.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -99.5 156.56 16.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 111.084 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 9.9 m-85 -127.73 103.75 7.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.462 HG13 ' CG1' ' A' ' 47' ' ' VAL . 90.0 t -76.29 136.57 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.563 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.5 m-85 -117.6 126.02 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.535 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 2.2 mp -102.11 75.78 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.502 ' HG3' ' CD1' ' A' ' 29' ' ' TRP . 2.5 mmp_? -72.26 -57.39 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 -134.05 142.35 43.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 53.4 Cg_endo -69.7 -163.67 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.469 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 67.5 t80 -142.58 115.62 8.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.87 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.915 0.388 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . 0.402 ' C ' ' CD1' ' B' ' 11' ' ' LEU . 0.5 OUTLIER -70.61 -175.59 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.499 ' CD1' ' N ' ' B' ' 11' ' ' LEU . 0.7 OUTLIER -115.95 -174.71 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 p30 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.537 ' CE3' HG22 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -106.69 29.73 6.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.774 0.321 . . . . 0.0 110.935 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -104.06 119.47 39.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -97.64 -63.28 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.27 -123.36 5.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.529 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -61.29 115.29 3.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.825 0.345 . . . . 0.0 110.829 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.5 tpp -159.63 152.35 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.5 m -107.39 145.81 32.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.82 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.41 -72.98 0.25 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.42 -26.22 0.95 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.459 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 7.5 tp60 -66.5 -64.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.39 -50.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -47.25 -49.46 23.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 m -60.78 -62.48 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.425 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 4.8 mp -46.32 -52.53 12.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.421 ' CD2' HD23 ' A' ' 32' ' ' LEU . 18.7 mt -59.5 -67.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.98 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -41.85 -43.18 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.23 -41.59 72.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -36.96 75.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.96 27.06 70.74 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -114.59 122.04 34.73 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 142.76 49.01 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.77 2.313 . . . . 0.0 112.327 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.508 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.3 m95 71.38 26.64 3.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.4 m -90.2 96.68 10.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.209 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.524 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 21.1 p90 -90.98 165.35 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.421 HD23 ' CD2' ' A' ' 22' ' ' LEU . 2.9 pp -167.9 138.36 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.537 HG22 ' CE3' ' A' ' 8' ' ' TRP . 36.1 t -98.03 145.22 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' GLU . 41.9 ptt85 -157.87 115.87 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' ARG . 2.2 tt0 -36.96 155.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 -179.758 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.442 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 9.4 t70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.453 ' CZ ' ' OH ' ' A' ' 74' ' ' TYR . 12.5 m-85 -141.97 173.46 11.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.43 HG11 ' N ' ' A' ' 45' ' ' LEU . 93.9 t -136.42 136.16 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.182 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.43 ' N ' HG11 ' A' ' 44' ' ' VAL . 19.4 tp -118.29 104.58 10.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.3 m -99.71 141.06 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.4 t -142.96 135.23 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.414 ' HG ' ' CB ' ' A' ' 60' ' ' LEU . 16.9 tp -89.02 97.75 11.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.5 p -56.63 158.26 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.791 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.507 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 5.1 t70 -83.39 2.09 38.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -94.33 110.41 48.43 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.55 0.691 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 153.98 68.14 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.712 2.274 . . . . 0.0 112.289 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -60.05 -55.05 38.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -116.38 -60.45 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -148.06 -154.28 6.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -19.16 36.46 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.638 2.225 . . . . 0.0 112.305 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -91.18 -17.23 51.51 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.8 p -84.59 152.71 60.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.678 0.751 . . . . 0.0 110.792 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 142.0 46.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.263 . . . . 0.0 112.291 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.414 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 72.4 mt -64.91 142.12 58.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -66.27 150.41 48.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.1 t -115.16 127.68 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.1 m -100.76 110.14 22.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.199 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -94.16 123.21 37.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.4 mt -131.86 112.91 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -71.26 113.4 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.5 t -82.06 115.92 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.149 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 42.7 mtm -77.39 174.55 10.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 31.7 t -141.71 114.98 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.03 82.12 5.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.14 -74.07 1.47 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -128.57 -14.63 2.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.45 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -103.39 -178.79 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.573 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 26.4 m-85 -125.96 150.54 47.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.8 t -156.18 154.57 31.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.437 ' HB ' ' CD2' ' B' ' 11' ' ' LEU . 13.5 m -123.69 86.06 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.01 -50.52 3.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.59 163.01 49.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 77.9 mt -75.99 -21.18 57.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.963 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -52.54 173.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.5 p -153.06 164.78 37.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.494 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 77.8 m-85 -143.15 135.61 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 82' ' ' PHE . 4.4 m-20 -37.8 -39.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 t -174.63 -178.73 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.573 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 3.6 mm? -44.96 -32.64 1.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.9 m -64.42 -59.67 4.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.11 -37.57 74.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.494 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.2 tt -69.55 -64.12 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.452 ' N ' HD23 ' A' ' 88' ' ' LEU . 72.3 t -53.18 -59.73 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -44.61 -59.8 2.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -55.21 -21.03 12.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -93.66 -15.9 24.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -77.17 -16.21 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -105.98 -35.62 7.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 73.2 p -93.2 -54.62 3.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.09 167.74 21.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.422 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 50.5 mt -113.82 125.1 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.761 0.315 . . . . 0.0 111.157 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.609 ' CD ' ' CE2' ' A' ' 104' ' ' PHE . 4.9 tp10 -95.14 120.45 35.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -88.29 156.45 19.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.9 -54.71 44.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.063 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -39.93 -42.28 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 128.72 25.55 1.01 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -108.97 159.16 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 111.081 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.609 ' CE2' ' CD ' ' A' ' 98' ' ' GLU . 8.7 m-85 -124.51 103.48 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 78.1 t -73.54 139.53 19.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.508 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 19.7 m-85 -122.59 140.81 52.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.524 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 2.0 mp -118.95 90.45 3.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.969 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.46 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 21.5 mtm180 -86.42 -45.32 11.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -145.98 142.24 17.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.528 0.68 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.506 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 54.1 Cg_endo -69.75 -164.05 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.39 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -133.5 107.22 7.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.968 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.506 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 35.0 m-85 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.3 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.46 164.6 12.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.437 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -93.37 -173.25 3.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.865 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.56 ' CE3' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -116.61 29.14 8.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.783 0.325 . . . . 0.0 110.891 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -101.73 123.71 46.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.983 0.42 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -104.84 -62.12 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.47 -109.52 2.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -57.29 106.35 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.756 0.312 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.8 ttm -172.45 147.48 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.0 p -118.98 154.95 32.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -41.15 -51.44 4.3 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.536 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.38 -50.27 57.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.433 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 16.4 tp60 -59.39 -61.77 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -39.78 -46.61 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -55.34 -46.72 76.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -60.27 -54.7 42.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.433 ' CD1' ' O ' ' A' ' 17' ' ' GLN . 5.0 mp -55.31 -49.77 71.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.983 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.403 ' CD2' HD22 ' A' ' 32' ' ' LEU . 38.7 mt -60.69 -61.22 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.457 ' CG ' ' HB2' ' A' ' 59' ' ' PRO . 92.8 mt-30 -49.89 -56.85 8.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.56 -44.89 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -58.19 -37.99 75.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 64.36 27.87 72.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -107.67 120.22 47.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.671 0.748 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 143.01 49.54 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.402 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.553 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.5 m95 66.62 35.79 5.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.447 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 96.7 m -99.78 98.65 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.065 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.467 ' CE2' ' CD1' ' A' ' 8' ' ' TRP . 24.4 p90 -92.81 163.43 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.427 ' C ' HD12 ' A' ' 32' ' ' LEU . 3.4 pp -167.2 133.8 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.56 HG22 ' CE3' ' A' ' 8' ' ' TRP . 61.6 t -92.18 140.74 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.407 ' NH2' HG11 ' A' ' 44' ' ' VAL . 43.0 ptt85 -150.8 134.03 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -57.13 166.23 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.5 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.796 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CD2' HD23 ' A' ' 85' ' ' LEU . 2.1 m-85 -109.81 168.55 9.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.407 HG11 ' NH2' ' A' ' 34' ' ' ARG . 82.3 t -138.3 134.64 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.9 tp -105.35 122.92 46.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.81 148.03 37.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.456 ' CG1' HG12 ' A' ' 105' ' ' VAL . 85.4 t -153.64 143.64 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.0 tp -103.79 99.27 9.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.1 p -58.8 153.3 17.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.511 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.5 OUTLIER -75.38 -4.07 37.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -86.99 113.78 55.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.542 0.687 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 147.92 63.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.649 2.233 . . . . 0.0 112.294 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -50.91 -47.13 60.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.32 -52.8 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.062 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.41 -144.33 5.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 91.58 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 142.92 -35.3 1.71 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.43 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.3 p -72.12 152.88 92.66 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.597 0.713 . . . . 0.0 110.856 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.457 ' HB2' ' CG ' ' A' ' 23' ' ' GLN . 53.4 Cg_endo -69.79 118.03 5.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.296 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.6 mt -38.6 151.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -75.84 146.07 40.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 49.3 t -110.8 143.08 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.185 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.3 m -118.76 113.58 21.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -99.31 108.97 21.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.0 mt -110.99 108.24 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -65.53 108.08 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.7 t -79.41 113.74 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 22.6 mtm -83.32 154.18 24.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.9 t -124.3 136.77 54.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -130.68 79.44 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.53 57.23 4.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.442 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.41 -41.02 3.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -76.18 157.08 33.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.841 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.551 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 22.2 m-85 -119.22 146.89 44.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -139.21 171.86 13.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.42 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 26.8 m -134.23 96.53 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 40.46 26.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -140.57 172.48 23.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.491 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.8 mp -78.55 -27.87 45.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -56.06 164.65 1.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.7 p -143.97 164.97 29.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.535 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 86.7 m-85 -143.05 145.46 32.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -48.57 -48.39 38.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.551 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 5.2 m -166.46 -177.64 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.489 HD23 ' CD2' ' A' ' 43' ' ' PHE . 4.2 mm? -48.05 -33.77 8.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 68.8 m -64.89 -58.84 5.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -58.98 -42.9 91.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.535 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.4 tt -64.37 -62.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' A' ' 85' ' ' LEU . 95.8 t -51.99 -60.71 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -44.39 -60.09 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -50.97 -24.0 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.9 m-85 -93.87 -26.24 16.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -65.68 -18.29 65.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 pttt -106.95 -39.08 5.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.3 p -83.16 -56.32 3.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.212 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.24 157.58 14.67 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.54 HG13 ' CD1' ' A' ' 92' ' ' PHE . 45.7 mt -116.82 135.88 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 111.13 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.466 ' N ' HG22 ' A' ' 97' ' ' ILE . 24.5 tt0 -108.88 149.38 29.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -107.63 148.77 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -48.38 -49.59 34.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t -52.56 -47.27 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.72 30.59 0.25 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.422 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -103.92 157.68 16.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 111.058 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -127.22 106.08 9.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.456 HG12 ' CG1' ' A' ' 47' ' ' VAL . 83.3 t -82.54 132.91 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.553 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.9 m-85 -119.77 135.91 54.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.3 mp -113.5 96.98 6.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.464 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 24.0 mtm180 -92.74 -45.21 8.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.4 pm0 -146.37 143.82 19.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -165.07 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.361 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.447 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 94.4 t80 -135.91 113.14 10.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.891 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.94 0.4 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.0 -176.34 4.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 76.8 mt -108.86 -175.11 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.567 ' CE3' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -116.36 26.69 9.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.36 . . . . 0.0 110.927 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -100.46 120.12 39.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.404 ' CD2' HD12 ' A' ' 32' ' ' LEU . 77.6 m-70 -100.96 -45.05 5.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.48 -117.22 5.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.43 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -61.51 101.22 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.5 tpp -157.56 127.28 6.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.8 p -84.28 149.04 26.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.48 -60.12 3.85 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.34 -43.17 9.83 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.443 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 3.7 tp60 -58.02 -64.45 0.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.763 0.316 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -36.86 -52.73 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -48.49 -47.83 38.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.5 m -60.24 -59.69 5.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.1 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.529 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 4.8 mp -50.4 -47.58 56.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.1 mt -61.61 -65.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -46.47 -54.05 9.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.33 -40.99 5.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.073 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -61.85 -38.14 87.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.53 17.37 66.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.526 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -100.47 122.02 51.17 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.716 0.77 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 142.06 47.26 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.748 2.299 . . . . 0.0 112.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.557 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 8.0 m95 68.75 34.54 3.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.6 m -97.01 97.52 9.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 33.3 p90 -87.83 167.35 13.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.404 HD12 ' CD2' ' A' ' 10' ' ' HIS . 0.7 OUTLIER -168.82 132.91 1.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.567 HG22 ' CE3' ' A' ' 8' ' ' TRP . 50.5 t -92.81 150.82 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.7 ptt85 -167.73 128.89 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -43.72 154.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 6.1 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 36' ' ' SER . 6.9 t0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.811 0.339 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 5.3 m-85 -118.26 178.05 4.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.0 t -145.96 139.2 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 tp -116.17 110.12 18.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.8 m -99.86 141.39 32.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.433 HG23 ' CB ' ' A' ' 31' ' ' PHE . 96.9 t -142.38 148.05 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.404 ' CD1' HG23 ' A' ' 62' ' ' VAL . 20.1 tp -103.66 97.48 7.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.8 p -59.2 150.69 24.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.804 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 2.1 t70 -74.87 0.75 14.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -89.87 114.29 60.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.717 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.52 60.42 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.653 2.236 . . . . 0.0 112.369 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -50.82 -57.42 8.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -109.32 -61.2 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -163.83 -148.39 5.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.63 84.77 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.388 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.38 -28.84 0.87 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 p -75.11 155.23 86.4 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 60' ' ' LEU . 53.6 Cg_endo -69.79 115.73 4.23 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' PRO . 52.2 mt -36.24 147.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -72.97 151.49 41.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.481 HG12 ' CE1' ' A' ' 64' ' ' HIS . 23.4 t -115.24 134.46 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 57.8 m -106.88 106.76 17.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.168 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.481 ' CE1' HG12 ' A' ' 62' ' ' VAL . 82.2 m-70 -93.42 114.74 27.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 21.9 mt -125.73 131.73 71.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -79.01 141.59 37.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.9 t -113.34 108.64 26.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 41.1 mtm -75.27 160.76 29.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.1 t -128.51 122.75 31.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -108.33 92.2 3.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 50.95 62.12 5.59 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.21 -37.56 3.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -78.18 173.47 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.35 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.495 ' CE2' HD22 ' A' ' 85' ' ' LEU . 30.2 m-85 -134.26 150.91 51.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.057 0.456 . . . . 0.0 110.883 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.9 t -154.82 166.15 34.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.6 m -129.92 87.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.09 -61.0 2.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.74 174.2 2.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.449 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 mp -84.76 -14.48 48.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.72 0.295 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -53.48 172.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.1 p -156.96 152.71 27.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.15 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.496 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 67.0 m-85 -130.72 154.99 47.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -55.78 -45.99 78.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.404 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 26.5 p -165.79 -175.91 3.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.495 HD22 ' CE2' ' A' ' 74' ' ' TYR . 2.9 mm? -50.86 -33.71 25.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.5 m -65.58 -56.16 13.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.15 -39.36 92.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.496 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 7.9 tt -66.61 -59.0 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 73.1 t -57.4 -57.97 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -44.65 -54.92 5.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -56.11 -24.03 37.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -93.73 -18.85 21.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -74.45 -15.56 60.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -106.71 -36.43 6.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.3 p -91.56 -64.75 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 118.93 157.68 10.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.419 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 41.0 mt -103.16 136.75 34.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.772 0.32 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 55.6 tt0 -108.35 117.32 33.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.431 ' OE2' ' CB ' ' B' ' 9' ' ' SER . 5.3 mm-40 -87.27 154.23 20.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' SER . . . -56.42 -57.42 12.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' ALA . 3.7 m -35.45 -43.94 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.32 23.79 1.09 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -107.85 162.27 14.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 111.077 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.0 m-85 -128.8 107.25 9.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.4 t -79.18 140.25 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.557 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 18.2 m-85 -122.41 143.57 49.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.468 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -122.67 95.11 4.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.411 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 41.7 mtp180 -90.99 -40.41 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -150.68 143.25 16.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.71 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.44 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.3 Cg_endo -69.76 -165.22 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 0.0 112.281 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 86.6 t80 -130.87 115.4 16.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.968 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.44 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.4 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 0.431 ' CB ' ' OE2' ' A' ' 99' ' ' GLU . 1.9 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.932 0.396 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.1 172.12 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.464 ' N ' HD13 ' B' ' 11' ' ' LEU . 8.6 mp -101.76 -172.82 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.55 ' CE3' HG23 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -107.37 28.71 7.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.754 0.311 . . . . 0.0 110.91 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -102.52 113.26 26.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -89.06 -56.4 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.89 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.14 -112.16 3.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -77.28 126.07 30.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.749 0.309 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.3 ttm -174.26 138.64 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.3 t -76.01 139.45 41.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.0 -58.06 4.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.541 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.24 -28.5 50.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.544 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 18' ' ' ALA . 12.2 tt0 -61.83 -64.28 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -35.97 -51.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -45.65 -48.66 14.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.6 m -61.11 -66.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mp -41.9 -44.18 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.984 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.454 ' CD2' HD22 ' A' ' 32' ' ' LEU . 32.1 mt -67.25 -60.09 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.448 ' CG ' ' HB2' ' A' ' 59' ' ' PRO . 98.3 mt-30 -50.33 -59.05 4.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.53 -39.23 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -61.21 -43.98 98.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.85 6.42 72.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.451 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.89 120.4 69.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 0.0 110.771 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 143.78 51.52 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.473 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 9.2 m95 68.51 31.28 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.43 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 88.2 m -92.04 96.87 10.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.425 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 17.3 p90 -90.1 159.03 17.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.454 HD22 ' CD2' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -161.95 128.46 3.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.55 HG23 ' CE3' ' A' ' 8' ' ' TRP . 5.3 t -89.68 145.94 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -162.6 120.94 2.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -46.57 153.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.797 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.756 0.313 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -134.93 -178.38 5.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.2 t -153.93 148.48 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.4 tp -127.77 99.74 5.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 m -90.19 133.72 34.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -134.77 142.28 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.4 tp -97.22 96.52 8.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.9 p -53.61 156.26 2.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.815 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.45 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 2.5 t70 -78.7 1.6 22.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -97.88 126.05 42.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.624 0.726 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 158.59 56.45 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.62 2.213 . . . . 0.0 112.358 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -61.53 -48.26 81.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.42 -51.65 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -171.39 -149.9 6.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 90.85 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.31 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.24 -29.94 1.62 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.8 p -78.38 152.95 79.03 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.676 0.751 . . . . 0.0 110.844 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.448 ' HB2' ' CG ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.81 120.43 7.21 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.292 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 59' ' ' PRO . 29.0 mt -35.48 147.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -71.38 148.49 46.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.2 t -112.43 135.97 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 98.7 m -112.64 116.04 29.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.111 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -101.21 105.19 16.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.781 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.5 mt -103.37 131.25 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -79.24 124.77 28.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.8 t -105.08 92.78 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 43.9 mtm -62.82 169.26 3.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.6 t -136.6 128.85 29.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -122.43 83.02 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.98 54.84 22.41 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.52 -28.86 7.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -75.4 175.67 8.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.477 ' CD2' HD22 ' A' ' 85' ' ' LEU . 41.2 m-85 -143.92 143.63 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.4 t -152.54 162.54 41.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.151 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.45 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 33.7 m -127.59 86.51 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.026 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.84 -48.67 2.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.539 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.21 164.5 52.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.46 -25.06 57.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -46.18 170.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.0 p -157.65 159.63 37.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.508 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 70.7 m-85 -137.57 143.81 41.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -46.44 -35.09 5.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.461 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 2.8 m -173.61 173.28 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.477 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.1 mm? -41.93 -62.88 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.1 m -40.8 -47.39 2.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -67.39 -39.62 85.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.508 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.3 tt -69.4 -65.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.402 ' N ' HD22 ' A' ' 88' ' ' LEU . 56.5 t -45.88 -58.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -43.57 -61.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -52.36 -23.56 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.799 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -93.74 -18.42 22.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -71.89 -20.86 61.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.5 pttp -106.27 -40.91 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.7 p -82.89 -47.56 11.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.87 165.32 35.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.507 ' CG2' ' CD1' ' B' ' 11' ' ' LEU . 14.1 mt -109.92 142.73 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.113 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.466 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 23.5 tt0 -116.62 90.61 3.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -55.91 156.89 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 101' ' ' SER . . . -56.17 -60.15 3.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' ALA . 2.1 m -36.25 -37.83 0.13 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 123.18 26.28 1.7 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -103.9 149.46 25.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.466 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 8.8 m-85 -115.14 104.92 12.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 73.1 t -83.14 132.01 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.473 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 20.0 m-85 -116.79 138.86 51.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.425 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.5 mp -115.24 96.77 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.971 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.444 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 11.4 mtm180 -91.62 -48.45 6.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -142.57 143.61 27.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.403 ' CB ' ' HB3' ' A' ' 8' ' ' TRP . 54.6 Cg_endo -69.69 -165.1 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.691 2.261 . . . . 0.0 112.403 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.43 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 77.5 t80 -140.56 120.12 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.96 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 54.2 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -178.26 1.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.507 ' CD1' ' CG2' ' A' ' 97' ' ' ILE . 3.7 mm? -103.67 -174.05 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.817 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.562 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -119.75 28.3 8.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 110.885 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -104.83 123.33 47.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -98.12 -69.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' MET . . . 117.97 -119.04 4.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -53.34 84.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.772 0.32 . . . . 0.0 110.833 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' GLY . 14.9 tpp -140.63 143.52 35.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 m -109.93 159.26 17.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.88 -74.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.61 -33.68 0.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ALA . 11.7 tt0 -66.61 -65.31 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.339 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -35.07 -49.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -54.45 -48.69 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' GLN . 81.5 m -56.92 -52.7 64.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.524 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 5.0 mp -56.55 -58.89 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.8 mt -54.23 -61.55 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -48.92 -51.61 29.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.15 -37.86 55.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -57.99 -42.9 86.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.7 6.82 67.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.545 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -95.51 120.49 63.56 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.687 0.756 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 142.4 47.95 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.452 ' CD1' ' HD2' ' A' ' 108' ' ' ARG . 7.6 m95 71.35 32.02 2.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.1 m -92.99 101.0 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 22.9 p90 -95.07 160.57 14.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 pp -167.1 142.58 4.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.562 HG21 ' CE3' ' A' ' 8' ' ' TRP . 36.8 t -96.34 135.88 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.0 ptt85 -144.42 111.46 5.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -47.7 122.1 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.802 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.863 0.364 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.54 ' CZ ' ' OH ' ' A' ' 74' ' ' TYR . 5.8 m-85 -130.07 -178.05 4.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.3 t -148.26 149.16 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 tp -127.07 116.87 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 m -106.63 148.19 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.456 ' CG1' HG13 ' A' ' 105' ' ' VAL . 98.9 t -148.46 134.6 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.4 tp -89.97 97.29 11.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.1 p -59.34 157.81 10.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -80.74 0.96 32.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -90.38 111.48 47.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.711 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 151.19 68.47 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.73 2.287 . . . . 0.0 112.261 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -62.51 -56.24 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -134.65 90.55 2.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.36 -165.71 2.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.428 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 133.64 26.0 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.621 2.214 . . . . 0.0 112.343 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.21 -43.77 1.62 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 p -64.78 153.34 88.21 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.607 0.718 . . . . 0.0 110.832 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 120.85 7.57 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.9 mt -41.61 148.16 0.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -70.26 150.28 46.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.425 HG11 ' CE1' ' A' ' 64' ' ' HIS . 20.1 t -115.56 126.58 73.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.096 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.6 m -100.83 106.46 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.425 ' CE1' HG11 ' A' ' 62' ' ' VAL . 37.3 m-70 -95.54 113.39 25.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.5 mt -118.68 125.03 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.155 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -73.56 133.02 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.3 t -101.57 101.02 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.6 mtm -65.43 161.42 19.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 40.3 t -129.34 120.93 26.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -119.13 102.45 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.11 56.66 13.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.77 -34.42 2.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -76.21 166.48 23.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.54 ' OH ' ' CZ ' ' A' ' 43' ' ' PHE . 24.9 m-85 -126.09 150.59 48.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.955 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.3 t -156.86 163.84 38.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.186 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.3 m -126.87 87.23 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.071 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.92 -58.68 2.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.05 167.89 11.0 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.0 mt -77.3 -23.48 51.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.721 0.296 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -46.5 170.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 79.3 p -155.21 157.4 37.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.488 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 60.1 m-85 -135.81 155.67 49.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.53 -46.49 77.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.8 p -169.22 178.22 4.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.526 HD22 ' CE2' ' A' ' 74' ' ' TYR . 3.5 mm? -44.46 -27.96 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.402 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 54.3 m -71.62 -49.97 35.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -69.47 -38.42 77.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.488 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.3 tt -68.62 -61.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 85' ' ' LEU . 99.5 t -53.23 -58.19 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 86' ' ' THR . 49.7 mm-40 -44.24 -57.73 3.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -55.88 -21.91 22.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.455 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.2 m-85 -93.81 -15.96 24.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.484 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 37.7 mtmt -75.75 -16.16 60.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.8 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -106.26 -37.02 6.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.7 p -90.0 -68.08 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 113.76 150.16 10.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.455 HG13 ' CD1' ' A' ' 92' ' ' PHE . 24.9 mt -94.9 140.86 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.076 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.495 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 31.2 tt0 -109.04 117.81 35.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -85.92 142.67 28.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' SER . . . -38.82 -62.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' ALA . 91.9 p -35.77 -37.68 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.89 21.17 2.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.41 156.99 16.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 111.051 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.495 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.4 m-85 -126.34 106.93 9.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.456 HG13 ' CG1' ' A' ' 47' ' ' VAL . 75.5 t -76.77 134.54 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.141 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.447 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 22.4 m-85 -118.49 133.86 55.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.548 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.8 mp -112.93 94.12 4.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.834 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.452 ' HD2' ' CD1' ' A' ' 29' ' ' TRP . 12.9 mtp-105 -91.23 -46.91 7.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.7 pm0 -140.44 141.53 26.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.486 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.0 Cg_endo -69.83 -163.77 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.309 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.524 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 89.7 t80 -135.5 112.76 10.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.486 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 6.8 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.15 178.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.411 ' N ' ' CD1' ' B' ' 11' ' ' LEU . 0.5 OUTLIER -107.63 -174.89 2.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.561 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -120.3 25.78 9.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.968 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -97.28 116.28 29.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -114.1 74.09 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.39 166.41 34.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 62.56 33.2 16.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.7 0.286 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.449 ' HG2' ' N ' ' A' ' 14' ' ' SER . 37.4 ttm -118.56 155.77 30.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.449 ' N ' ' HG2' ' A' ' 13' ' ' MET . 58.8 m -108.79 158.73 17.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.72 -70.38 0.93 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.21 -24.99 1.69 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 18' ' ' ALA . 20.4 tp60 -68.39 -62.55 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 110.942 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -36.53 -46.63 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.473 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 25.9 mt-10 -50.31 -46.96 55.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 63.1 m -63.05 -60.95 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.223 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.416 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 4.5 mp -48.86 -45.37 40.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.469 ' HG ' ' CD2' ' A' ' 32' ' ' LEU . 19.7 mt -66.01 -61.8 1.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.433 ' CG ' ' HB2' ' A' ' 59' ' ' PRO . 75.3 mt-30 -48.51 -57.96 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.0 -41.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.06 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -60.49 -41.77 94.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.11 8.97 66.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -91.08 120.29 68.62 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.707 0.765 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 142.02 46.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.565 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.5 m95 70.97 30.6 2.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.429 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 94.6 m -93.55 100.89 13.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.501 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 25.5 p90 -93.01 157.14 16.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.469 ' CD2' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -161.06 135.32 7.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.561 HG21 ' CE3' ' A' ' 8' ' ' TRP . 42.7 t -93.0 150.35 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.444 ' N ' HG13 ' A' ' 33' ' ' VAL . 50.2 ptt85 -162.31 142.69 10.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -58.98 161.27 5.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.774 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.525 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 53.8 m-20 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.782 0.325 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.525 ' CD1' ' C ' ' A' ' 42' ' ' ASP . 1.3 m-85 -139.45 172.73 12.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.8 t -138.95 147.72 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.7 tp -122.12 121.55 37.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.0 m -112.45 146.0 39.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.44 HG23 ' CB ' ' A' ' 31' ' ' PHE . 87.2 t -148.97 133.88 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 tp -90.07 97.39 11.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.8 p -60.32 155.83 17.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 4.3 t70 -76.62 1.13 17.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -89.28 116.06 65.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.585 0.707 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 142.89 49.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.254 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -49.54 -50.23 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.85 -50.88 2.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.57 -146.97 6.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 91.4 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.689 2.259 . . . . 0.0 112.393 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 144.58 -32.25 1.74 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.535 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 p -77.03 153.18 82.64 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.653 0.739 . . . . 0.0 110.913 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.433 ' HB2' ' CG ' ' A' ' 23' ' ' GLN . 54.4 Cg_endo -69.7 118.55 5.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 59' ' ' PRO . 24.7 mt -34.67 151.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.83 145.52 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.7 t -111.32 125.4 68.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.012 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.3 m -103.7 119.01 38.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.473 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 40.8 m-70 -105.62 114.61 28.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.5 mt -115.85 118.7 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -63.64 144.21 57.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.2 t -116.58 107.62 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.049 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 36.2 mtm -74.98 153.54 38.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 27.3 t -137.87 122.34 18.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.459 ' HG3' ' CG ' ' A' ' 73' ' ' ARG . 2.4 pt-20 -115.65 99.75 7.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.45 -50.53 2.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -168.92 -29.68 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.445 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.459 ' CG ' ' HG3' ' A' ' 70' ' ' GLU . 14.1 ptt180 -81.79 149.59 28.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.461 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 29.4 m-85 -106.8 151.26 25.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.1 t -159.91 153.0 21.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.6 m -118.06 85.97 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.89 -63.66 2.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.15 149.25 27.17 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.428 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.8 mt -62.78 -14.41 44.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 81' ' ' THR . 7.9 mt-10 -52.46 -175.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.5 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 47.1 p -162.33 174.01 13.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.226 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.547 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 59.3 m-85 -157.54 134.19 9.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 82' ' ' PHE . 6.2 m-20 -36.21 -52.19 0.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.421 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 1.9 m -164.01 -176.22 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 3.3 mm? -47.86 -34.79 9.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.2 m -63.44 -58.25 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.84 -38.6 86.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.547 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -66.36 -61.64 1.9 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.441 ' N ' HD23 ' A' ' 88' ' ' LEU . 78.5 t -54.86 -55.95 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -45.24 -54.85 6.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -59.23 -22.32 60.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.439 ' CD1' HG13 ' A' ' 97' ' ' ILE . 2.3 m-85 -93.75 -11.17 32.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -80.33 -16.46 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 pttm -106.63 -38.67 6.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.8 p -88.76 -67.05 0.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.43 154.23 12.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.439 HG13 ' CD1' ' A' ' 92' ' ' PHE . 35.0 mt -98.7 132.98 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 111.093 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.539 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 38.9 tt0 -103.98 110.16 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -77.98 142.05 38.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -41.37 -58.61 1.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.072 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 m -38.77 -42.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 127.43 28.24 0.92 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -104.68 152.28 22.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.756 0.312 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.9 m-85 -125.71 104.49 8.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.431 HG13 ' CG1' ' A' ' 47' ' ' VAL . 92.4 t -75.76 133.87 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.565 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 19.7 m-85 -120.22 133.84 55.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.501 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.7 mp -112.46 96.41 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.434 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 30.9 mtp85 -90.55 -42.94 10.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 -146.98 142.42 17.03 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.578 0.704 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -164.14 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.639 2.226 . . . . 0.0 112.312 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.429 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 87.9 t80 -140.06 139.83 35.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.991 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 -179.901 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.907 0.384 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.22 170.27 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.464 ' N ' HD12 ' B' ' 11' ' ' LEU . 1.8 mp -96.6 179.89 4.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.551 -0.22 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.566 ' CE3' HG23 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -111.14 21.69 16.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.801 0.334 . . . . 0.0 110.949 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.408 ' OH ' ' CG ' ' A' ' 35' ' ' GLU . 6.1 t80 -99.31 113.87 26.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -94.43 -59.18 2.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.827 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.08 -100.98 1.13 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.428 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -69.3 101.13 1.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.757 0.313 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 39.0 ttm -165.92 158.37 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.0 p -125.72 179.77 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.38 -60.56 6.94 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.6 -42.39 27.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.448 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 4.8 tp60 -60.64 -62.42 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.712 0.291 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -38.3 -43.99 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.464 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 13.1 mt-10 -57.22 -45.89 83.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.4 m -63.7 -46.52 85.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.448 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 5.3 mp -63.18 -42.67 99.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 68.3 mt -71.64 -62.72 1.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.416 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 90.1 mt-30 -47.65 -45.34 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.991 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.3 90.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -54.33 -44.33 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.74 24.47 76.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.88 121.1 42.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 110.929 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 142.0 47.17 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.6 m95 68.54 33.29 4.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -95.31 99.73 11.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.47 ' CB ' HG22 ' A' ' 47' ' ' VAL . 20.5 p90 -93.48 160.8 14.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.813 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.408 HD13 ' NH2' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -164.92 135.58 3.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.566 HG23 ' CE3' ' A' ' 8' ' ' TRP . 2.5 t -104.55 151.7 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.533 HH22 ' N ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -152.74 -177.63 6.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' CG ' ' OH ' ' A' ' 9' ' ' TYR . 35.3 mt-10 -107.81 131.28 54.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.843 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.965 0.412 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 2.2 m-85 -108.42 178.58 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.424 HG21 ' C ' ' A' ' 43' ' ' PHE . 91.5 t -146.28 148.79 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.4 tp -125.16 139.81 53.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.533 ' N ' HH22 ' A' ' 34' ' ' ARG . 68.3 m -126.32 149.23 49.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.47 HG22 ' CB ' ' A' ' 31' ' ' PHE . 66.1 t -150.37 140.4 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.469 ' HG ' ' CB ' ' A' ' 60' ' ' LEU . 17.5 tp -99.63 98.06 8.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.6 p -59.71 159.03 9.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.437 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 3.7 t70 -81.39 2.41 28.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -92.57 108.87 34.71 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 148.51 65.8 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.402 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -52.88 -57.91 8.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.7 -74.87 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -143.39 -154.39 6.12 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 83.44 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.6 2.2 . . . . 0.0 112.351 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.36 -32.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.4 p -71.33 154.4 93.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.683 0.754 . . . . 0.0 110.877 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.416 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 54.1 Cg_endo -69.73 114.54 3.73 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.469 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 62.6 mt -36.71 149.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -70.38 145.81 50.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.485 HG11 ' CE1' ' A' ' 64' ' ' HIS . 65.4 t -114.48 132.33 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.7 m -108.42 107.28 17.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.485 ' CE1' HG11 ' A' ' 62' ' ' VAL . 73.1 m-70 -93.42 114.91 27.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.3 mt -114.7 116.24 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -71.62 110.42 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.0 t -80.82 121.23 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 42.1 mtm -89.1 165.8 14.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.6 t -127.97 128.24 44.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.804 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -119.25 80.43 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.33 53.1 48.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 99.72 -50.09 1.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -68.41 177.29 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.886 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 28.6 m-85 -136.57 146.08 45.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 t -146.17 153.89 41.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.161 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.488 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 33.2 m -121.63 86.15 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.39 -49.67 2.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.551 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.06 163.66 50.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.2 mt -76.68 -19.81 57.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.433 ' O ' ' CG2' ' A' ' 81' ' ' THR . 5.9 mm-40 -53.2 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.433 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 34.2 p -158.51 165.26 34.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.546 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 63.9 m-85 -144.17 137.5 27.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 82' ' ' PHE . 11.2 m-20 -37.91 -53.49 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.545 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 2.3 m -161.11 -176.33 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.498 HD21 ' CE2' ' A' ' 74' ' ' TYR . 4.3 mm? -47.99 -36.68 13.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.9 m -61.6 -61.64 2.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -55.84 -40.14 72.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.546 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -65.77 -65.41 0.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 72.3 t -51.31 -59.57 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -44.09 -59.29 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -53.28 -21.88 6.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.462 ' CZ ' HG21 ' A' ' 76' ' ' VAL . 2.7 m-85 -93.73 -26.31 17.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.407 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 30.5 mtmt -67.24 -15.51 63.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.92 -45.86 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.2 p -77.66 -54.49 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.88 156.19 19.16 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.505 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.461 ' CG2' HD21 ' B' ' 11' ' ' LEU . 61.3 mt -108.32 133.76 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 111.09 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 33.9 tt0 -105.76 138.25 42.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -92.25 145.82 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -40.08 -58.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.059 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 m -54.07 -66.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 178.99 -35.9 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.62 151.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.348 . . . . 0.0 111.086 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 9.7 m-85 -127.64 124.57 38.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.463 HG13 ' CG1' ' A' ' 47' ' ' VAL . 94.9 t -92.6 134.19 31.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.567 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 23.6 m-85 -120.51 126.13 49.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 mp -102.62 78.12 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.47 ' HG3' ' CD1' ' A' ' 29' ' ' TRP . 1.8 mmp_? -75.24 -57.21 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -134.01 141.67 40.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.56 0.695 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 53.6 Cg_endo -69.83 -164.61 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.392 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -138.34 110.69 7.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.428 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.9 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.91 -175.06 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.461 HD21 ' CG2' ' A' ' 97' ' ' ILE . 87.8 mt -115.43 -179.06 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.566 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -106.82 21.41 17.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.835 0.35 . . . . 0.0 110.92 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -98.14 110.83 23.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -86.46 -62.35 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.68 -128.07 7.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 6.0 p80 -54.49 107.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.686 0.279 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.9 ttp -168.55 134.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 m -89.28 175.64 7.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 17' ' ' GLN . . . -65.94 -67.9 1.85 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.4 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.95 -28.11 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 18' ' ' ALA . 6.2 tp60 -72.17 -63.88 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -36.16 -46.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.426 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 23.7 mt-10 -52.58 -47.26 66.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 65.7 m -63.09 -58.59 6.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 mp -50.3 -40.94 49.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.5 mt -74.52 -68.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -41.85 -42.94 2.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.45 -44.13 76.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -55.24 -45.04 76.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.23 13.72 82.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.0 122.05 53.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.662 0.744 . . . . 0.0 110.837 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 54.0 Cg_endo -69.79 141.63 45.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.378 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.563 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 7.9 m95 69.24 36.87 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 81.7 m -97.13 103.16 15.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.497 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 23.7 p90 -94.27 156.83 16.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.416 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 1.1 pp -160.1 139.85 11.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.566 HG21 ' CE3' ' A' ' 8' ' ' TRP . 24.9 t -101.2 143.28 14.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.105 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.465 ' CZ ' HG11 ' A' ' 44' ' ' VAL . 25.2 ptt85 -157.74 146.19 19.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.798 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -61.51 172.82 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 -179.754 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 5.5 m-85 -107.7 171.94 7.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.465 HG11 ' CZ ' ' A' ' 34' ' ' ARG . 86.4 t -133.86 135.21 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.424 ' N ' HG12 ' A' ' 44' ' ' VAL . 45.4 tp -115.38 108.85 17.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -103.61 139.22 39.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.453 ' CG1' HG12 ' A' ' 105' ' ' VAL . 96.0 t -141.19 144.11 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CD1' HG21 ' A' ' 62' ' ' VAL . 17.9 tp -99.1 97.63 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.2 p -61.8 150.82 35.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.765 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.563 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 4.6 t70 -72.64 1.0 9.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.762 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -90.46 113.25 56.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.521 0.677 . . . . 0.0 110.974 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 149.92 67.27 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -52.98 -51.32 61.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.86 -69.71 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.22 -152.54 5.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 79.85 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.634 2.223 . . . . 0.0 112.345 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.74 -28.15 0.28 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.441 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 p -78.18 153.4 79.64 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.743 0.782 . . . . 0.0 110.818 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.3 Cg_endo -69.75 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.262 . . . . 0.0 112.37 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' PRO . 26.1 mt -37.05 149.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -72.03 144.66 48.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.457 HG21 ' CD1' ' A' ' 48' ' ' LEU . 5.7 t -114.98 124.45 71.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.2 m -96.59 117.43 30.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.426 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 91.6 m-70 -99.38 105.16 17.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.8 mt -107.16 139.52 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -98.33 104.48 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.803 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.5 t -77.76 124.68 36.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 50.6 mtm -86.0 169.44 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.0 t -139.66 124.88 18.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -122.27 92.99 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.72 52.58 41.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.31 -41.45 2.58 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -70.44 159.98 33.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.514 ' CE2' HD22 ' A' ' 85' ' ' LEU . 25.5 m-85 -128.15 144.46 51.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.991 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 t -150.94 154.35 36.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.7 m -118.72 85.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.01 -65.92 3.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.02 174.12 1.8 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.45 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 80' ' ' GLU . 32.1 mt -81.77 -19.82 40.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.688 0.28 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.411 ' C ' HG23 ' A' ' 81' ' ' THR . 11.8 mt-10 -45.66 172.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.411 HG23 ' C ' ' A' ' 80' ' ' GLU . 56.9 p -157.02 160.9 39.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 25.5 m-85 -144.22 147.27 33.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.3 -50.96 11.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -163.76 -178.68 5.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.514 HD22 ' CE2' ' A' ' 74' ' ' TYR . 2.1 mm? -47.82 -36.06 11.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.3 m -63.13 -53.61 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.85 -38.33 90.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.56 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -68.18 -63.11 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.418 ' N ' HD23 ' A' ' 88' ' ' LEU . 62.3 t -50.46 -56.71 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.156 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -44.19 -60.47 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -54.07 -20.85 7.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -93.4 -20.11 20.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.443 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 32.0 mtmt -74.08 -15.24 61.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -106.59 -37.01 6.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 59.8 p -91.78 -61.4 1.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 113.82 172.0 17.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 56.8 mt -121.05 136.08 59.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.743 0.306 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.507 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 8.3 tt0 -105.41 140.73 38.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -106.66 151.46 25.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.93 -58.99 4.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -42.26 -49.21 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.76 30.61 0.25 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.98 152.81 23.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.836 0.35 . . . . 0.0 111.037 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.507 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.8 m-85 -124.99 108.85 12.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.453 HG12 ' CG1' ' A' ' 47' ' ' VAL . 95.5 t -81.58 133.06 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.557 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.1 m-85 -119.11 129.49 55.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.2 mp -108.36 80.16 1.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -82.88 -48.46 10.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 8.1 pm0 -132.19 139.54 35.24 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -163.88 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.462 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 81.1 t80 -140.59 109.2 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.959 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.927 0.394 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.98 -175.12 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 80.9 mt -114.26 170.86 7.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . 0.555 ' C ' ' ND2' ' B' ' 12' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.55 ' CE3' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -117.73 21.27 13.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.75 0.309 . . . . 0.0 110.9 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -95.41 107.06 19.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.441 ' CG ' ' HE2' ' A' ' 13' ' ' MET . 58.7 m-70 -80.99 -62.22 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.832 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.01 -80.94 0.28 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.552 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -88.04 96.11 10.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.747 0.308 . . . . 0.0 110.808 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.441 ' HE2' ' CG ' ' A' ' 10' ' ' HIS . 41.2 ttm -155.7 127.44 7.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 t -97.91 157.4 16.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -41.4 -63.92 1.48 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.54 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.3 -33.08 52.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.416 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 14.7 tt0 -65.74 -65.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.934 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -37.5 -52.32 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -47.0 -49.58 20.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.9 m -58.31 -63.32 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' A' ' 17' ' ' GLN . 4.6 mp -46.26 -51.4 14.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.433 HD12 ' CG1' ' A' ' 62' ' ' VAL . 22.6 mt -60.21 -68.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.403 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 94.1 mt-30 -41.72 -44.28 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.41 -40.6 68.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' CG ' ' HB2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -57.64 -45.35 85.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.74 3.98 74.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.432 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.461 ' HB2' ' CG ' ' A' ' 25' ' ' LYS . 2.9 mm-40 -92.72 122.46 64.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.665 0.745 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 141.98 46.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.648 2.232 . . . . 0.0 112.297 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.491 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 8.3 m95 72.61 26.49 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.421 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 68.3 m -87.18 98.43 11.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 27.7 p90 -88.1 168.92 12.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -173.73 138.35 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.55 HG22 ' CE3' ' A' ' 8' ' ' TRP . 16.0 t -95.91 151.57 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -167.21 113.41 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -59.65 139.18 57.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.798 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.845 0.355 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.419 ' C ' HG23 ' A' ' 44' ' ' VAL . 49.4 m-85 -126.49 174.28 8.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.419 HG23 ' C ' ' A' ' 43' ' ' PHE . 97.5 t -143.16 126.74 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.6 tp -104.6 104.6 14.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 m -91.88 140.97 29.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.419 HG23 ' CB ' ' A' ' 31' ' ' PHE . 78.4 t -145.53 132.03 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.101 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.4 ' HG ' ' CB ' ' A' ' 60' ' ' LEU . 19.0 tp -89.99 96.49 10.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.0 p -60.73 152.3 27.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.457 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -71.97 -1.37 14.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -85.68 117.14 68.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.517 0.675 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.28 66.4 Favored 'Trans proline' 0 C--O 1.23 0.125 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 1.8 mtpm? -70.5 -44.17 68.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.417 ' H ' ' CB ' ' A' ' 58' ' ' SER . . . -125.89 -45.39 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.502 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . 135.32 -57.96 0.68 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 53.5 Cg_endo -69.76 82.17 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.354 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 58.84 32.24 69.74 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.417 ' CB ' ' H ' ' A' ' 54' ' ' ALA . 78.4 p -81.4 148.95 64.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.702 0.763 . . . . 0.0 110.856 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 60' ' ' LEU . 53.9 Cg_endo -69.78 113.31 3.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.78 2.32 . . . . 0.0 112.309 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' PRO . 25.6 mt -36.77 144.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.69 147.02 53.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.433 ' CG1' HD12 ' A' ' 22' ' ' LEU . 5.7 t -114.72 125.2 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 98.8 m -99.37 128.17 45.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -113.12 111.1 21.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.9 mt -114.5 131.93 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -82.08 109.16 16.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.8 t -86.09 109.27 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 75' ' ' THR . 35.3 mtm -62.78 146.57 52.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.1 t -121.72 100.99 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 71' ' ' GLY . 11.4 mt-10 -80.15 -174.45 4.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLU . . . -32.76 -60.3 0.41 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -140.07 0.76 2.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.403 ' CB ' ' HB ' ' A' ' 81' ' ' THR . 0.8 OUTLIER -114.85 175.27 5.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.828 0.346 . . . . 0.0 110.916 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.592 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 67.1 m-85 -126.22 157.3 38.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.032 0.444 . . . . 0.0 110.869 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 68' ' ' MET . 4.5 t -159.24 162.61 36.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.1 m -129.17 102.86 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 45.28 25.6 1.23 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -134.95 168.9 23.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.3 mt -84.09 -23.76 30.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -62.38 171.45 1.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.403 ' HB ' ' CB ' ' A' ' 73' ' ' ARG . 71.1 p -149.84 167.97 25.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.538 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 35.0 m-85 -143.24 144.63 32.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -41.65 -53.17 3.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.4 m -159.36 178.52 9.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.592 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 3.7 mm? -47.06 -34.24 5.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.7 m -64.6 -56.04 16.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -59.75 -37.49 79.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.538 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.8 tt -69.28 -64.68 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.2 t -50.65 -55.74 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -45.51 -56.21 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -57.52 -20.35 30.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.407 ' CD1' HG13 ' A' ' 97' ' ' ILE . 2.3 m-85 -93.84 -22.23 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -69.15 -17.27 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.001 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -105.86 -38.55 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 45.3 p -92.63 -58.48 2.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.83 165.6 25.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.557 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.407 HG13 ' CD1' ' A' ' 92' ' ' PHE . 21.4 mt -105.93 131.31 55.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.79 0.328 . . . . 0.0 111.159 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.623 ' CD ' ' CE2' ' A' ' 104' ' ' PHE . 5.5 tp10 -99.11 129.29 45.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 100' ' ' ALA . 40.3 mt-10 -94.13 128.96 40.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' GLU . . . -34.4 -50.31 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.3 m -45.59 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.96 31.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -115.99 151.0 36.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.623 ' CE2' ' CD ' ' A' ' 98' ' ' GLU . 9.3 m-85 -122.87 111.57 16.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.3 t -84.53 133.94 28.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.085 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.491 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 23.1 m-85 -118.53 146.42 44.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.558 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.3 mp -125.2 95.17 4.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.447 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 28.1 mtm180 -88.51 -45.81 9.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -144.86 142.12 18.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.575 0.702 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 53.8 Cg_endo -69.66 -166.14 0.17 Allowed 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.724 2.282 . . . . 0.0 112.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.421 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 92.4 t80 -135.73 107.18 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.905 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.881 0.372 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -53.56 -178.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.834 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.474 HD11 ' N ' ' B' ' 11' ' ' LEU . 0.7 OUTLIER -116.55 -173.78 2.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.983 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.56 ' CE3' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -114.2 28.93 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -102.47 132.14 48.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -112.43 -58.32 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.29 -125.15 7.02 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -57.47 104.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.8 ttm -152.58 114.32 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.5 t -72.32 148.57 45.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.07 -58.67 5.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.15 -33.23 44.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.454 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' ALA . 7.5 tt0 -64.82 -65.38 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.792 0.33 . . . . 0.0 110.996 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -35.09 -48.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -51.89 -48.56 64.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' GLN . 71.6 m -59.05 -54.01 51.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.202 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.9 mp -55.86 -47.34 77.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 25' ' ' LYS . 37.1 mt -67.05 -67.03 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -42.74 -42.55 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.46 79.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -61.67 -34.9 76.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.42 35.63 91.31 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -121.4 121.58 28.43 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.586 0.708 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.66 48.65 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.467 ' CB ' ' HG3' ' A' ' 108' ' ' ARG . 6.6 m95 67.91 31.81 5.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 87.5 m -94.92 98.9 11.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.531 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 25.2 p90 -90.95 166.26 13.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 pp -167.65 132.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.56 HG22 ' CE3' ' A' ' 8' ' ' TRP . 43.5 t -93.08 130.86 41.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -143.3 147.63 35.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -71.02 153.76 42.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.751 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.894 0.378 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.569 ' CE1' ' CZ ' ' A' ' 74' ' ' TYR . 16.4 m-85 -106.25 171.55 7.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.7 t -137.89 142.87 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.6 tp -119.75 116.09 25.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.3 m -112.16 139.8 47.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.426 ' CG1' HG13 ' A' ' 105' ' ' VAL . 73.3 t -140.89 149.03 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.443 ' CD1' HG23 ' A' ' 62' ' ' VAL . 21.6 tp -104.15 96.68 6.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.6 p -55.31 159.25 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -84.33 2.4 40.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -92.47 110.36 44.38 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.651 0.738 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 148.32 64.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -53.26 -47.63 68.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.8 -46.81 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.047 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.34 -143.88 7.19 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 88.27 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.19 -29.71 1.64 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.486 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.4 p -76.51 154.33 83.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 110.909 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 116.28 4.49 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.329 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.1 mt -41.74 144.48 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -71.34 144.45 49.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.443 HG23 ' CD1' ' A' ' 48' ' ' LEU . 46.5 t -108.12 153.7 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 98.2 m -126.64 104.13 7.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 -90.71 112.39 24.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.9 mt -113.0 135.78 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -88.32 113.27 23.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.0 t -87.24 104.91 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 23.0 mtm -73.32 151.5 41.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -105.28 131.54 52.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -115.85 77.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 48.87 53.93 16.12 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.436 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.47 -41.8 2.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -82.93 -179.48 7.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.569 ' CZ ' ' CE1' ' A' ' 43' ' ' PHE . 27.0 m-85 -139.23 136.78 35.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.3 t -133.03 166.94 21.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.199 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.7 m -129.02 86.46 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.19 -54.6 2.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.17 179.41 14.56 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.2 mt -85.81 -26.93 25.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -46.36 172.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.4 p -150.67 165.96 31.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 52.5 m-85 -143.4 136.52 27.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -36.41 -52.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -163.88 -179.83 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.568 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.5 mm? -47.66 -29.85 3.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.1 m -66.02 -57.79 6.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.171 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.77 -38.22 87.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.542 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -67.37 -63.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.4 t -52.27 -58.14 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -46.68 -53.66 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -56.67 -21.5 28.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -93.77 -30.61 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -63.59 -17.0 62.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.959 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -106.68 -41.08 5.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 73.2 p -84.09 -56.25 3.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.55 160.53 17.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.417 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 65.5 mt -113.23 148.44 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 111.083 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -125.11 130.4 52.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -89.21 146.04 25.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -48.76 -45.52 39.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.9 m -52.78 -46.86 67.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.65 30.68 0.25 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.33 161.13 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.721 0.296 . . . . 0.0 111.177 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -128.66 105.61 8.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.426 HG13 ' CG1' ' A' ' 47' ' ' VAL . 70.3 t -83.96 134.04 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.458 ' HB2' ' CD2' ' A' ' 29' ' ' TRP . 18.9 m-85 -120.11 143.31 48.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.531 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 2.6 mp -119.05 94.28 4.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.467 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 25.2 mtm180 -89.36 -44.85 9.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -145.06 143.46 20.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.615 0.722 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.409 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.9 Cg_endo -69.71 -166.49 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.749 2.299 . . . . 0.0 112.313 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.452 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 69.9 t80 -142.46 115.96 9.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.409 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.4 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.873 0.368 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -131.8 -174.68 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.8 mt -114.16 -176.13 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.844 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.532 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -119.25 27.23 8.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.78 0.324 . . . . 0.0 110.908 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -103.58 126.32 50.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -109.73 -52.87 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.19 -99.68 2.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 32.5 p-80 -69.25 110.81 4.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.464 ' CE ' HD23 ' A' ' 21' ' ' LEU . 4.4 tpp -170.02 129.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 m -83.96 142.85 30.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 17' ' ' GLN . . . -39.46 -81.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.568 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . . . -36.29 -31.75 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.512 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 15' ' ' GLY . 19.9 tt0 -61.15 -65.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -34.95 -50.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -47.99 -49.76 29.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.5 m -57.89 -58.31 8.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.464 HD23 ' CE ' ' A' ' 13' ' ' MET . 4.3 mp -51.5 -50.39 60.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.4 ' CG ' HD21 ' A' ' 32' ' ' LEU . 32.0 mt -60.82 -64.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -46.53 -41.93 14.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.89 -33.82 69.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 tptt -66.27 -34.29 77.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.79 12.54 48.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -98.31 121.63 56.37 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.692 0.758 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.19 50.12 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.658 2.239 . . . . 0.0 112.371 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.474 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.8 m95 68.98 35.12 2.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.421 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 88.6 m -94.88 97.28 9.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.172 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 20.7 p90 -90.81 157.69 17.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.4 HD21 ' CG ' ' A' ' 22' ' ' LEU . 2.3 pp -161.9 136.34 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.532 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 6.5 t -98.39 147.39 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.0 ptt85 -160.4 147.86 16.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.75 133.99 54.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.813 -179.826 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.531 ' CZ ' ' OH ' ' A' ' 74' ' ' TYR . 3.4 m-85 -120.49 169.13 10.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -134.55 140.42 45.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.8 tp -117.51 117.01 28.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -109.45 141.97 41.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.815 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.453 HG23 ' CB ' ' A' ' 31' ' ' PHE . 86.8 t -144.07 138.05 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.5 tp -94.25 96.18 9.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.7 p -55.21 160.24 2.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -83.24 1.15 42.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -91.88 114.75 63.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.699 . . . . 0.0 110.947 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 150.03 67.03 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.34 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -57.78 -41.01 81.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -127.52 -45.51 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.61 -146.58 8.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.408 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 91.8 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.44 -31.09 1.95 Allowed Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.9 p -76.71 153.84 83.35 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.631 0.729 . . . . 0.0 110.898 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.67 114.87 3.83 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' PRO . 29.5 mt -37.16 148.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -72.51 145.26 47.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.9 t -109.01 141.01 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.3 m -115.4 110.59 19.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -97.68 111.0 23.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.8 mt -114.07 138.07 45.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 147.22 37.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.9 t -123.36 95.95 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.7 mtm -74.31 164.02 27.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 48.0 t -122.69 115.66 22.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -83.99 74.37 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 38.26 66.76 0.58 Allowed Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.509 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.72 -41.77 2.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -101.37 -179.71 4.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.571 ' CD2' HD22 ' A' ' 85' ' ' LEU . 26.6 m-85 -126.36 148.33 49.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.5 t -151.09 167.45 27.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.408 HG23 ' CD2' ' B' ' 11' ' ' LEU . 16.8 m -129.24 87.98 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.87 -61.52 2.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.31 -173.28 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.445 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.1 mt -94.19 -21.51 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.736 0.303 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -47.06 169.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.9 p -154.09 159.34 41.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.475 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 50.2 m-85 -141.14 146.63 37.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -44.95 -47.46 11.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.4 p -166.07 -177.1 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.571 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.1 mm? -50.22 -32.08 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.0 m -65.54 -56.75 10.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.54 -35.5 80.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.475 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 9.2 tt -67.06 -62.76 1.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 66.5 t -55.06 -55.86 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.091 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -43.07 -61.54 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -53.56 -23.34 10.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -93.65 -15.98 24.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -74.39 -20.6 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -106.27 -35.05 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.9 p -85.04 -65.55 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.54 147.93 10.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.7 mt -93.33 140.79 15.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.517 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 31.1 tt0 -113.4 116.22 29.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 102' ' ' GLY . 39.6 mt-10 -79.64 142.86 35.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -40.37 -58.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.7 p -47.2 -32.33 4.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 132.99 -35.98 2.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.458 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.33 153.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 9.6 m-85 -128.01 118.36 23.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.44 HG13 ' CG1' ' A' ' 47' ' ' VAL . 55.5 t -90.17 136.37 24.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.474 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 19.3 m-85 -121.49 139.41 53.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.563 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.5 mp -116.26 87.42 2.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.46 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 17.8 mtp180 -82.13 -51.46 7.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -139.84 142.82 32.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.582 0.706 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -164.37 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.418 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.421 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 86.5 t80 -137.25 111.3 8.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.94 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.91 -179.892 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.65 173.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.408 ' CD2' HG23 ' A' ' 76' ' ' VAL . 6.4 mp -106.97 -174.05 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.892 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.558 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -119.15 25.88 9.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.801 0.334 . . . . 0.0 110.952 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -107.16 122.45 46.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -102.07 -56.03 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.73 -115.45 4.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.434 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -57.07 107.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.777 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.8 tpp -164.27 139.5 5.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.9 m -99.06 145.49 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.47 -62.08 2.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.461 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.52 -25.24 6.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.467 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.451 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 18.3 tt0 -73.97 -64.59 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -36.25 -45.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -53.16 -46.28 68.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 17' ' ' GLN . 65.5 m -63.36 -56.31 17.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD1' ' HG2' ' A' ' 17' ' ' GLN . 4.8 mp -53.06 -49.59 66.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.467 ' CD2' HG21 ' A' ' 30' ' ' THR . 18.3 mt -63.68 -65.4 0.69 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -45.07 -47.7 11.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.99 -32.46 54.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -63.12 -45.54 91.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.54 16.98 80.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.462 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -106.75 120.04 49.53 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.714 0.769 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 143.46 51.11 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.483 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 7.6 m95 70.54 27.52 3.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.467 HG21 ' CD2' ' A' ' 22' ' ' LEU . 83.8 m -89.58 99.48 12.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 16.7 p90 -91.47 163.33 14.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.444 HD23 ' CG ' ' A' ' 22' ' ' LEU . 1.1 pp -170.91 137.66 1.25 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.558 HG21 ' CE3' ' A' ' 8' ' ' TRP . 6.4 t -98.54 144.46 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 35' ' ' GLU . 18.4 ptt85 -156.85 115.06 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' ARG . 1.9 tt0 -34.54 147.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.798 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.816 0.341 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.495 ' CZ ' ' OH ' ' A' ' 74' ' ' TYR . 14.6 m-85 -123.37 175.9 6.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.5 t -142.57 146.75 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 tp -123.98 130.54 52.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -120.23 144.08 47.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.457 ' CG1' ' CG1' ' A' ' 105' ' ' VAL . 70.1 t -147.43 132.31 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.3 tp -89.11 99.73 12.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.5 p -60.14 155.55 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.483 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.9 OUTLIER -79.42 1.4 25.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -98.46 121.55 56.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.565 0.698 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 149.58 66.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.653 2.236 . . . . 0.0 112.379 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -55.51 -56.16 23.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.73 -43.18 4.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.072 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 170.73 -147.59 10.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 88.01 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.674 2.249 . . . . 0.0 112.325 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 149.74 -30.99 1.12 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.8 p -80.84 154.5 73.13 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.675 0.75 . . . . 0.0 110.84 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 119.81 6.69 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.8 mt -37.94 143.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.29 148.82 50.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.53 HG13 ' CE1' ' A' ' 64' ' ' HIS . 61.6 t -115.98 111.25 34.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 98.1 m -79.33 107.31 12.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.53 ' CE1' HG13 ' A' ' 62' ' ' VAL . 65.3 m-70 -96.66 116.8 29.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.1 mt -122.42 122.5 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -74.71 118.91 18.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.6 t -89.61 127.74 42.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 50.8 mtm -93.67 169.76 10.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 20.1 t -135.42 124.95 25.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -111.37 99.34 8.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.799 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 46.68 53.29 10.17 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.397 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.29 -42.14 2.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -74.36 175.84 7.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.319 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.592 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 42.8 m-85 -128.93 150.01 50.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.5 t -155.71 154.3 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.6 m -120.07 86.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.93 21.28 7.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -124.53 154.41 17.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.99 -10.18 57.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.48 -179.93 7.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.1 p -156.27 171.3 20.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 53.7 m-85 -147.34 139.28 24.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -41.64 -54.17 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m -157.28 -177.37 6.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.818 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.592 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 4.2 mm? -50.91 -32.81 21.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.7 m -65.52 -53.56 40.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.08 -38.19 90.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.768 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.561 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.4 tt -68.25 -65.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.8 t -51.03 -55.23 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -46.05 -51.83 13.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -60.62 -22.01 63.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.495 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.8 m-85 -93.58 -17.1 23.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -74.3 -20.19 60.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 pttp -105.1 -39.04 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.8 p -87.07 -60.52 1.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.65 154.67 22.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.414 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.495 HG13 ' CD1' ' A' ' 92' ' ' PHE . 18.0 mt -96.33 145.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.456 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 24.4 tt0 -114.18 102.22 9.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.3 141.7 52.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -44.99 -57.02 4.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.5 m -39.95 -27.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.807 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . 111.06 32.54 2.58 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.473 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -111.21 154.08 24.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.379 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 10.1 m-85 -124.44 107.51 11.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.457 ' CG1' ' CG1' ' A' ' 47' ' ' VAL . 65.1 t -80.55 141.93 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -124.05 134.45 53.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.486 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.1 mp -111.57 97.46 6.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.438 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 29.6 mtp85 -91.23 -49.97 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -139.89 143.94 36.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.683 0.754 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.416 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.79 -164.1 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -136.09 124.4 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.416 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 7.3 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.938 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.97 176.98 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mp -111.56 -174.88 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.868 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.555 ' CE3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -122.62 31.14 6.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.717 0.294 . . . . 0.0 110.921 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -104.06 122.25 44.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -120.95 98.78 6.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.56 151.36 32.47 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 68.33 48.46 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 110.834 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.3 ttp -145.18 118.26 8.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.3 p -82.41 -177.58 6.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.417 ' HA2' ' NH2' ' A' ' 34' ' ' ARG . . . -68.11 -57.21 8.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.499 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -41.29 -38.39 1.92 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.451 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 4.7 tp60 -72.46 -58.57 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.32 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.13 -43.33 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.436 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 11.3 mt-10 -53.44 -45.54 69.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.3 m -66.7 -60.04 3.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 5.1 mp -47.52 -35.58 9.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.2 mt -76.71 -59.41 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -50.13 -54.27 21.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.01 -42.39 13.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -59.82 -33.26 71.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.44 24.97 62.28 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -104.0 118.91 55.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.683 0.754 . . . . 0.0 110.823 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 141.55 45.44 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.268 . . . . 0.0 112.388 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.542 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 7.8 m95 68.31 32.83 4.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.407 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 99.0 m -94.31 103.21 15.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 21.5 p90 -93.43 161.24 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -166.56 140.14 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.555 HG23 ' CE3' ' A' ' 8' ' ' TRP . 13.8 t -101.15 152.76 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.448 ' N ' HG12 ' A' ' 33' ' ' VAL . 30.8 ptt85 -164.51 118.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -39.7 152.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.78 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -136.35 172.16 13.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 45' ' ' LEU . 51.3 t -139.04 136.9 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.458 ' N ' HG12 ' A' ' 44' ' ' VAL . 14.7 tp -115.74 123.45 48.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.2 m -117.49 142.33 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.464 ' CG1' HG13 ' A' ' 105' ' ' VAL . 83.8 t -142.38 143.26 26.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.2 tp -97.17 95.91 8.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.2 p -57.52 148.13 24.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.542 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.5 OUTLIER -71.15 -5.15 29.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -84.28 113.59 49.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.65 0.738 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 148.11 64.29 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -55.66 -46.67 77.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.83 -66.2 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.92 -149.35 5.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 85.91 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.274 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.76 -31.32 1.01 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.6 p -71.13 154.56 93.92 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 115.77 4.25 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.766 2.31 . . . . 0.0 112.321 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.4 mt -38.2 147.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -71.43 151.29 44.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.5 t -111.55 145.28 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.6 m -121.53 105.74 10.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.436 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 52.8 m-70 -95.66 111.22 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.0 mt -116.76 121.96 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -67.61 133.22 49.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.2 t -107.23 93.98 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.13 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 33.4 mtm -57.07 168.82 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 31.7 t -141.16 114.63 8.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -106.8 80.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.13 59.54 9.88 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.38 -43.48 2.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.493 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.499 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 22.3 mtp180 -66.36 171.09 5.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' A' ' 73' ' ' ARG . 24.8 m-85 -142.18 142.86 32.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 t -151.75 165.16 35.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.7 m -124.71 86.37 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.62 -63.78 2.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.23 170.62 4.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.535 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.7 mt -77.17 -14.28 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -49.26 170.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 p -157.12 165.29 36.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.524 ' CD1' ' HA ' ' A' ' 88' ' ' LEU . 81.1 m-85 -146.7 145.7 30.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.42 -32.13 48.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.45 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 5.4 t -174.84 175.68 2.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -44.38 -32.98 1.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.9 m -64.58 -59.08 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.428 ' CB ' ' HB3' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -54.03 -39.96 66.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.524 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 9.9 tt -68.24 -59.7 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 92' ' ' PHE . 60.7 t -57.39 -63.58 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -42.19 -55.46 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -59.11 -25.43 63.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 89' ' ' VAL . 2.1 m-85 -93.45 -14.14 27.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.507 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 29.0 mtmt -74.28 -18.18 60.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -105.88 -44.18 4.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.964 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.3 p -82.92 -51.1 7.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.36 170.59 30.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 23.2 mt -115.97 136.31 53.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.778 0.323 . . . . 0.0 111.118 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.507 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 54.7 tt0 -104.06 132.66 50.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -99.94 165.78 11.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 101' ' ' SER . . . -68.22 -61.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.062 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' ALA . 1.2 t -35.17 -48.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.02 30.43 0.32 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -114.73 156.21 25.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.507 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 10.4 m-85 -124.99 113.89 18.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.918 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.464 HG13 ' CG1' ' A' ' 47' ' ' VAL . 54.6 t -82.75 131.66 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.511 ' HB2' ' CD2' ' A' ' 29' ' ' TRP . 22.3 m-85 -117.22 133.67 55.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.533 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.3 mp -112.72 74.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.459 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 7.1 mtt180 -75.95 -49.61 17.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -135.76 140.01 32.41 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.59 0.71 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -163.69 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.377 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.438 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 86.6 t80 -134.81 115.86 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.005 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.812 0.339 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.58 -174.17 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.7 mt -121.96 173.38 7.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.561 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -122.75 31.15 6.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 110.947 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -105.3 122.68 46.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -100.18 -53.86 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.796 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.52 -136.21 13.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.432 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 25.9 p-80 -55.4 110.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.416 ' CE ' HD23 ' A' ' 21' ' ' LEU . 16.5 tpp -161.86 126.94 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.799 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.0 p -81.18 -179.29 7.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.87 -60.5 3.88 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.09 -30.36 3.88 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -72.75 -64.58 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -39.38 -45.69 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.425 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 20.5 mt-10 -53.19 -46.72 69.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.4 m -61.45 -61.96 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.416 HD23 ' CE ' ' A' ' 13' ' ' MET . 5.0 mp -46.55 -50.56 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.5 mt -59.63 -69.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -41.64 -44.17 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.39 70.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' CG ' ' HB2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -59.48 -36.0 75.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.07 29.97 76.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.506 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.408 ' HB2' ' CG ' ' A' ' 25' ' ' LYS . 15.0 mt-10 -117.69 123.59 29.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.707 0.765 . . . . 0.0 110.86 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 143.25 50.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.766 2.31 . . . . 0.0 112.304 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.556 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.8 m95 67.59 34.76 4.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.428 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 92.0 m -97.32 97.17 8.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 110' ' ' PRO . 29.1 p90 -88.52 165.43 14.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -166.89 129.33 1.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.561 HG21 ' CE3' ' A' ' 8' ' ' TRP . 26.3 t -92.02 132.32 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 -147.22 128.46 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.821 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -43.65 151.33 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.871 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.4 t70 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -131.13 172.72 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 45' ' ' LEU . 40.7 t -138.05 151.07 24.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.094 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.427 ' N ' HG13 ' A' ' 44' ' ' VAL . 61.7 tp -126.29 102.57 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 m -99.1 135.45 40.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.403 ' CG1' HG11 ' A' ' 105' ' ' VAL . 93.3 t -138.99 143.1 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.431 ' HG ' ' CB ' ' A' ' 60' ' ' LEU . 18.4 tp -98.52 97.09 8.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.2 p -54.43 156.83 3.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.457 ' CB ' ' CZ2' ' A' ' 29' ' ' TRP . 10.4 t70 -81.05 1.23 32.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -94.13 115.35 65.09 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.62 0.724 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 152.03 69.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.314 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -58.16 -41.78 84.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -125.64 -58.83 1.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.79 -148.84 5.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 86.47 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.744 2.296 . . . . 0.0 112.394 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.41 -27.0 1.09 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.523 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 99.2 p -79.21 153.21 76.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.628 0.728 . . . . 0.0 110.92 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.3 Cg_endo -69.71 114.77 3.8 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.431 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 59.7 mt -36.57 149.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -73.63 147.38 43.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.4 t -109.82 148.47 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.2 m -125.47 117.45 23.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.425 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 74.0 m-70 -99.38 120.19 39.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.791 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 53.8 mt -127.11 112.06 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -69.34 117.47 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.0 t -86.2 106.23 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.0 mtm -68.98 156.91 37.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.2 t -133.65 124.04 26.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -114.12 89.38 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.37 49.77 73.08 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.32 -48.27 1.13 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.539 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -65.58 158.48 27.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.558 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 25.6 m-85 -123.65 153.52 40.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.962 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 t -159.12 174.32 15.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 78' ' ' GLY . 35.7 m -140.38 105.56 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.213 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 37.96 26.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.481 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -141.03 147.25 18.86 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.405 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.3 mp -59.88 -27.6 66.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -52.44 174.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.1 p -156.31 169.23 25.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.491 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 85.1 m-85 -149.41 138.77 21.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -41.58 -51.61 3.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.7 p -158.88 176.43 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.558 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 2.9 mm? -46.49 -31.54 2.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.1 m -64.77 -54.33 33.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -65.66 -33.24 75.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.491 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.2 tt -70.7 -62.02 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 92' ' ' PHE . 64.7 t -55.14 -59.11 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -42.89 -61.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -54.31 -21.52 9.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 89' ' ' VAL . 2.5 m-85 -93.7 -18.85 21.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -74.07 -18.81 60.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -106.8 -35.72 6.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 80.7 p -87.83 -40.45 14.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.26 165.9 41.52 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 76.5 mt -118.14 142.27 33.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.538 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 23.9 tt0 -108.8 142.25 39.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -101.66 151.96 21.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.88 -59.09 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.5 m -44.79 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.95 30.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.425 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -110.71 156.0 21.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 8.9 m-85 -127.3 114.05 17.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.403 HG11 ' CG1' ' A' ' 47' ' ' VAL . 83.8 t -84.72 132.19 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.556 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 23.0 m-85 -120.16 132.93 55.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.53 96.59 6.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.469 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 33.0 mtp180 -93.58 -45.57 7.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -143.88 142.88 21.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.619 0.723 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 54.7 Cg_endo -69.69 -165.75 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.634 2.223 . . . . 0.0 112.433 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.428 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 86.1 t80 -137.8 107.97 6.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 15.7 m-85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.906 0.384 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.49 -175.0 3.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 89.9 mt -112.47 -175.37 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 p30 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.902 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.559 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -116.9 18.63 14.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.943 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -92.05 124.37 36.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -102.98 -56.37 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.97 -128.92 9.54 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -50.66 101.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.5 ttm -163.8 139.8 6.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.1 p -104.15 172.48 6.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.35 -61.33 7.61 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.543 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.36 -43.77 7.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.457 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 7.4 tp60 -64.04 -64.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 0.0 110.901 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.48 -44.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -57.01 -45.83 82.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 17' ' ' GLN . 70.5 m -63.8 -55.1 25.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.457 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 5.2 mp -53.52 -37.21 62.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.9 mt -76.96 -66.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -44.48 -46.42 9.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.89 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -58.66 -40.33 83.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.35 14.62 71.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.508 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -100.64 121.35 53.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.7 58.0 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.8 m95 67.09 34.59 4.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 92.0 m -97.51 97.75 9.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 110' ' ' PRO . 26.6 p90 -88.71 154.68 20.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.47 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -154.89 133.84 12.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.559 HG21 ' CE3' ' A' ' 8' ' ' TRP . 17.1 t -95.93 146.44 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.429 ' N ' HG12 ' A' ' 33' ' ' VAL . 6.4 ptt-85 -162.8 142.6 9.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.809 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.62 149.43 27.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.1 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.805 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -122.9 177.18 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.7 t -149.69 150.77 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.0 tp -127.14 119.72 27.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.2 m -105.89 142.29 35.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.458 HG23 ' CB ' ' A' ' 31' ' ' PHE . 84.4 t -140.15 133.72 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 tp -89.95 96.04 10.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.1 p -61.13 156.41 18.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 6.6 t70 -78.61 2.08 20.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -90.56 115.05 63.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.485 0.659 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 145.5 57.25 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -56.35 -47.05 79.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.22 -60.19 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.81 -146.95 5.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 85.44 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.677 2.251 . . . . 0.0 112.363 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.19 -24.98 1.41 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.3 p -78.46 153.48 78.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.692 0.758 . . . . 0.0 110.826 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 115.03 3.91 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.314 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 44.4 mt -37.25 145.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.006 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -66.25 150.25 49.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.1 t -119.99 112.49 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.1 m -85.61 122.87 30.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.189 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -101.77 106.84 17.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.4 mt -112.31 102.07 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -64.4 132.35 49.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.7 t -101.04 112.09 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 45.7 mtm -80.49 157.1 26.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.7 t -126.33 138.08 53.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -128.77 75.1 1.62 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.3 58.17 5.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.43 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.9 -45.33 2.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -71.39 174.7 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.513 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 30.2 m-85 -137.88 141.27 40.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 t -144.16 161.26 39.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.144 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -126.16 86.7 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.59 -56.65 3.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.412 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.44 165.74 31.47 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.7 mt -76.44 -23.13 53.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.344 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -50.09 177.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.8 p -155.34 170.07 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.261 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.509 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 58.3 m-85 -146.54 141.63 27.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -39.54 -54.13 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.418 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 17.2 p -161.67 -178.4 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.513 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 4.1 mm? -46.9 -30.8 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.1 m -67.49 -60.63 2.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -57.11 -37.06 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.509 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -68.76 -62.67 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.412 ' N ' HD22 ' A' ' 88' ' ' LEU . 84.1 t -53.73 -58.19 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -44.41 -57.75 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -54.65 -23.91 19.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CD1' HG13 ' A' ' 97' ' ' ILE . 4.5 m-85 -93.65 -15.66 25.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -74.83 -19.67 60.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -105.85 -36.06 7.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.9 p -87.95 -56.11 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.04 153.07 25.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.427 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.54 HG13 ' CD1' ' A' ' 92' ' ' PHE . 24.2 mt -101.04 139.5 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.335 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.483 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 51.4 tt0 -111.86 118.58 35.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.67 135.39 33.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -40.37 -52.92 2.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 m -40.24 -39.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.16 28.84 1.18 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -112.1 152.01 28.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 111.085 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.7 m-85 -121.69 106.8 11.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.456 HG12 ' CG1' ' A' ' 47' ' ' VAL . 95.6 t -80.43 128.28 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.117 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.561 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.9 m-85 -113.76 128.34 56.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 mp -105.36 87.37 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.457 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 39.3 mtp180 -81.05 -50.01 10.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -141.94 144.06 30.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.549 0.69 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.518 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.8 Cg_endo -69.79 -164.64 0.13 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.685 2.257 . . . . 0.0 112.32 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.434 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 89.7 t80 -133.98 102.59 5.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.518 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 7.2 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.3 177.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.442 ' N ' HD12 ' B' ' 11' ' ' LEU . 0.6 OUTLIER -107.41 -174.84 2.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.836 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 t -154.99 124.14 6.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.818 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -85.97 126.6 34.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.78 118.4 0.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.9 p -99.62 98.08 8.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.2 m -86.22 122.67 30.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.58 -124.33 4.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.463 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.552 ' CE3' HG22 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -123.26 24.73 8.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.807 0.337 . . . . 0.0 110.915 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' OH ' ' CG ' ' A' ' 35' ' ' GLU . 6.2 t80 -98.01 114.3 26.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -92.59 -57.97 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.28 -127.88 9.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -46.06 119.14 2.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.5 ttm -174.7 150.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.5 m -109.75 152.61 25.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.43 -69.48 0.77 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.457 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.86 -27.12 3.15 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.493 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 18' ' ' ALA . 26.4 tt0 -68.6 -65.3 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.69 0.281 . . . . 0.0 110.858 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.35 -50.45 1.04 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -46.18 -49.01 17.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.3 m -60.29 -62.84 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mp -46.45 -47.1 19.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.44 -65.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -45.63 -35.85 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.77 97.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -34.72 67.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.98 29.62 73.08 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.418 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -118.97 123.56 28.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 143.4 50.4 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.741 2.294 . . . . 0.0 112.295 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.495 ' CD2' ' HB2' ' A' ' 106' ' ' TYR . 6.9 m95 67.26 31.06 6.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.6 m -92.33 97.03 10.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 26.3 p90 -88.74 159.08 17.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.831 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -163.0 130.51 3.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.552 HG22 ' CE3' ' A' ' 8' ' ' TRP . 17.8 t -91.35 139.9 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.402 ' NH1' ' HB ' ' A' ' 44' ' ' VAL . 2.9 ptm180 -150.05 148.33 28.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.404 ' CG ' ' OH ' ' A' ' 9' ' ' TYR . 33.2 mt-10 -80.78 125.07 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.411 ' HB2' ' CB ' ' A' ' 39' ' ' GLN . 15.9 m -51.9 -174.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.863 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.4 mt -102.67 116.22 32.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t 42.02 25.99 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.411 ' CB ' ' HB2' ' A' ' 36' ' ' SER . 5.6 tp-100 -81.6 136.02 48.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.561 0.696 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 105.07 1.43 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.656 2.237 . . . . 0.0 112.329 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 40.04 64.1 1.16 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.468 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.556 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 13.5 t70 -139.62 165.98 25.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.849 0.356 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 42' ' ' ASP . 3.6 m-85 -145.82 176.09 9.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.405 HG21 ' C ' ' A' ' 43' ' ' PHE . 74.6 t -145.84 136.68 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.8 tp -111.47 97.16 6.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.0 m -87.47 138.36 31.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.46 ' CG1' HG12 ' A' ' 105' ' ' VAL . 71.8 t -143.25 133.85 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.166 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.0 tp -89.62 96.11 10.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.6 p -58.01 152.57 16.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -77.18 1.23 18.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.954 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -90.85 112.54 54.01 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.529 0.681 . . . . 0.0 110.923 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.52 68.18 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -57.91 -45.19 86.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.932 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.75 -72.91 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -147.72 -154.31 6.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 83.75 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.712 2.275 . . . . 0.0 112.361 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.58 -26.24 0.52 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -76.06 155.78 84.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.675 0.75 . . . . 0.0 110.842 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 114.43 3.71 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.63 2.22 . . . . 0.0 112.331 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.1 mt -39.05 146.38 0.08 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -70.04 153.94 42.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.536 HG12 ' CE1' ' A' ' 64' ' ' HIS . 4.6 t -117.29 124.52 73.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.2 m -95.52 108.48 20.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.536 ' CE1' HG12 ' A' ' 62' ' ' VAL . 82.6 m-70 -96.79 114.51 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.9 mt -123.44 122.69 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.458 ' HG3' ' CE2' ' B' ' 8' ' ' PTR . 37.4 mttt -74.6 125.73 29.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 50.3 t -100.73 101.5 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.8 mtm -66.73 169.91 7.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.7 t -136.0 132.08 35.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -122.15 87.99 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.77 52.13 54.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.78 -38.66 3.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.499 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -75.4 174.67 9.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.522 ' CE2' HD23 ' A' ' 85' ' ' LEU . 29.4 m-85 -138.13 148.18 44.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 t -148.3 160.48 42.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.465 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 34.9 m -125.77 91.13 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 48.65 18.24 0.96 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.443 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -124.22 163.54 17.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.462 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 76.7 mt -76.21 -20.43 57.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.26 169.45 15.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.7 p -145.56 172.77 12.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.488 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 78.3 m-85 -148.79 135.9 20.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.05 -52.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.468 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 7.1 t -162.02 178.14 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.522 HD23 ' CE2' ' A' ' 74' ' ' TYR . 3.4 mm? -45.76 -30.49 1.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.0 m -65.24 -59.71 3.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -60.76 -38.43 85.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.488 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 8.6 tt -65.7 -65.59 0.66 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.9 t -50.49 -57.7 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -44.74 -55.61 5.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -57.01 -22.49 39.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.9 m-85 -93.8 -24.05 17.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -67.99 -17.52 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -104.81 -32.87 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.974 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 96' ' ' GLY . 45.2 p -98.29 -69.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.413 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . 118.21 156.96 10.4 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.564 HG13 ' CD1' ' A' ' 92' ' ' PHE . 21.1 mt -99.42 137.99 25.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.738 0.304 . . . . 0.0 111.176 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.592 ' OE1' ' CD1' ' A' ' 104' ' ' PHE . 4.6 tp10 -102.33 128.98 48.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 102' ' ' GLY . 19.4 mt-10 -97.08 128.95 44.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' GLU . . . -34.17 -40.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.0 m -54.15 -48.11 71.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.825 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 133.84 29.2 0.47 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.494 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -116.91 150.05 39.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.352 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.592 ' CD1' ' OE1' ' A' ' 98' ' ' GLU . 10.2 m-85 -118.46 108.36 14.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.46 HG12 ' CG1' ' A' ' 47' ' ' VAL . 77.9 t -73.74 136.16 25.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.187 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.495 ' HB2' ' CD2' ' A' ' 29' ' ' TRP . 18.8 m-85 -117.55 141.46 48.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.562 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.4 mp -122.44 90.63 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.461 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 33.3 mtp85 -85.49 -43.78 13.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -144.44 141.66 18.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 54.0 Cg_endo -69.68 -164.71 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.349 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -130.09 111.25 12.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.493 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 16.9 m-85 -95.46 147.42 23.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.4 t -110.66 89.93 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 156.14 88.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.524 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 171.44 14.45 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.623 2.216 . . . . 0.0 112.396 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.1 m -106.51 -49.4 3.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.0 m -82.15 169.41 16.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.501 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 36.7 mtm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.764 0.316 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -137.11 147.93 46.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -66.7 84.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -48.65 -42.52 34.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 174.93 -159.56 28.1 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 16.0 m -139.67 138.73 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 8.3 mm -66.23 155.76 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.458 ' CE2' ' HG3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -46.75 110.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.33 178.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 mp -124.39 -174.33 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.495 ' ND2' ' N ' ' B' ' 13' ' ' LEU . 0.4 OUTLIER -93.91 -61.88 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.586 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -36.71 -53.43 1.83 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.61 0.719 . . . . 0.0 110.949 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.3 Cg_endo -69.77 152.2 69.19 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.212 0 C-N-CA 122.692 2.261 . . . . 0.0 112.336 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -97.41 103.91 15.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 110.888 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -76.59 91.35 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.813 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.49 -162.18 4.12 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.557 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -80.4 177.12 9.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.95 0.405 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 m -119.04 -56.18 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.926 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.1 -138.08 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.492 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -115.02 27.29 9.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.775 0.321 . . . . 0.0 110.892 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -105.6 125.1 50.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -108.48 -61.92 1.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 12' ' ' HIS . . . 85.59 167.36 43.3 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.468 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 11' ' ' GLY . 10.5 m80 36.98 47.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.6 ttm -130.28 137.9 50.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 p -95.47 179.36 5.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.94 -61.29 4.1 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.5 -29.65 1.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.511 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.439 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 32.4 tp60 -72.7 -64.7 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -38.63 -43.21 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -54.59 -45.6 73.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 78.5 m -64.43 -56.04 16.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.463 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 4.9 mp -53.92 -52.48 60.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.6 mt -59.0 -62.53 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -47.8 -49.1 29.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.74 -41.74 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -55.34 -35.39 65.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.65 28.61 71.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -116.17 121.92 32.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 143.22 50.03 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.351 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.53 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.1 m95 70.42 28.11 3.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.2 m -90.28 99.4 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 110' ' ' PRO . 21.4 p90 -91.71 162.76 14.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.56 137.34 5.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.492 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 21.8 t -98.31 136.79 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.4 ptt85 -148.85 164.25 35.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -96.59 166.29 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.2 t -108.37 113.62 26.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 mt -46.42 -63.19 1.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.8 m -50.61 -51.08 52.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -105.19 91.63 4.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.596 0.712 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 3.71 2.61 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.416 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.3 -29.67 3.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.87 171.04 10.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.543 ' CD2' HD21 ' A' ' 85' ' ' LEU . 8.9 m-85 -129.66 175.29 8.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.8 t -148.78 143.84 18.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.4 tp -119.87 117.66 28.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 m -107.87 145.18 34.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.403 HG22 ' CB ' ' A' ' 31' ' ' PHE . 97.0 t -146.75 141.89 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.9 tp -98.74 97.93 9.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 p -60.2 150.47 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.445 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -72.29 -4.99 32.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.889 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -84.27 112.33 40.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.587 0.708 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 147.43 62.47 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 5.9 mtpm? -54.83 -57.24 12.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.62 -45.99 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.99 -147.75 9.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 88.22 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.296 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.5 -30.05 1.3 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.529 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 p -79.18 155.3 77.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.685 0.755 . . . . 0.0 110.859 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 114.64 3.76 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.752 2.301 . . . . 0.0 112.327 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.9 mt -37.31 149.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.5 tpt85 -69.63 147.48 50.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.402 HG12 ' CE1' ' A' ' 64' ' ' HIS . 42.1 t -115.4 125.5 72.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.7 m -99.45 117.83 34.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.402 ' CE1' HG12 ' A' ' 62' ' ' VAL . 59.6 m-70 -105.85 114.68 28.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.1 mt -118.43 131.38 71.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -72.39 141.59 48.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.0 t -115.42 99.36 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 29.4 mtm -71.7 157.9 37.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 46.7 t -116.5 115.13 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -101.89 88.72 3.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 49.98 69.33 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.07 -34.63 2.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -81.35 -178.27 6.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.427 ' CE1' ' CE1' ' A' ' 43' ' ' PHE . 27.4 m-85 -140.11 147.14 39.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.6 t -152.06 163.33 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.2 m -126.36 86.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.74 -76.05 2.24 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.75 176.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.9 mt -84.65 -17.65 37.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.829 0.347 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.431 ' O ' ' CG2' ' A' ' 81' ' ' THR . 17.8 mt-10 -46.34 172.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 80.7 p -158.87 153.01 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.508 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 64.4 m-85 -134.09 140.46 46.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -45.81 -33.26 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.9 m -172.97 -177.6 1.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.543 HD21 ' CD2' ' A' ' 43' ' ' PHE . 3.7 mm? -52.06 -28.33 16.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.9 m -66.07 -58.68 4.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.449 ' CB ' ' HB3' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -58.4 -35.01 71.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.508 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.2 tt -69.9 -59.83 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 92' ' ' PHE . 65.7 t -58.32 -61.73 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -43.56 -54.94 4.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -61.01 -22.89 64.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 89' ' ' VAL . 4.4 m-85 -93.7 -15.27 25.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -74.31 -16.59 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -106.33 -37.47 6.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.9 p -90.09 -45.39 9.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.36 169.18 40.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.7 mt -110.54 136.11 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.544 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 25.1 tt0 -105.62 111.48 24.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 102' ' ' GLY . 77.8 mt-10 -69.91 137.5 51.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 99' ' ' GLU . . . -34.33 -58.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -47.7 -43.27 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 146.53 -35.24 1.33 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.458 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.39 152.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 0.0 111.109 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.9 m-85 -125.05 120.54 31.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.813 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 106' ' ' TYR . 98.2 t -90.46 136.51 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.53 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.1 m-85 -119.88 133.12 55.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.447 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.1 mp -111.51 90.3 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -85.82 -48.65 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.2 pm0 -142.59 142.2 22.5 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.548 0.69 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 53.6 Cg_endo -69.76 -164.17 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.463 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 77.5 t80 -130.67 125.04 32.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.983 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -107.24 157.36 17.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.3 p -106.07 121.42 44.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -166.69 -93.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 168.2 22.19 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.3 t -128.21 167.83 16.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.1 m -156.78 142.64 17.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.449 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mmt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.71 0.29 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.37 116.71 13.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -103.27 116.9 33.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -115.84 111.1 19.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.32 -141.81 15.8 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -124.78 145.54 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 111.156 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 mm -73.06 148.2 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.1 m -63.46 105.95 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.66 -177.43 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.81 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.479 ' CD1' ' N ' ' B' ' 11' ' ' LEU . 0.4 OUTLIER -113.91 172.49 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.539 ' C ' ' ND2' ' B' ' 12' ' ' ASN . 0.0 OUTLIER -83.41 -36.65 24.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.59 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.2 OUTLIER -35.22 -54.37 1.12 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.614 0.721 . . . . 0.0 110.939 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.5 Cg_endo -69.77 160.2 50.58 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.708 2.272 . . . . 0.0 112.371 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.177 0 C-N-CA 122.674 2.249 . . . . 0.0 112.298 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.9 p -116.85 111.31 19.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -147.39 158.14 43.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.14 -136.45 5.86 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -104.19 101.8 11.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 110.936 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -74.21 -42.78 59.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.89 -125.82 2.12 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.526 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.559 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -116.22 25.43 10.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.713 0.292 . . . . 0.0 110.829 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -97.18 121.78 39.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.461 ' CD2' HD11 ' A' ' 32' ' ' LEU . 54.5 m-70 -97.41 -53.04 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.99 -106.79 3.43 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.415 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 1.1 p80 -69.43 107.38 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.401 ' CE ' HD13 ' A' ' 32' ' ' LEU . 16.2 ttp -175.12 131.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.2 m -84.84 -178.6 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.797 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 17' ' ' GLN . . . -70.35 -73.03 0.81 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.39 -26.38 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.543 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 15' ' ' GLY . 19.6 tt0 -67.23 -65.97 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -37.98 -39.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -58.25 -43.27 87.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' GLN . 70.5 m -68.48 -44.99 73.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.455 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 5.1 mp -64.81 -37.97 89.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.9 mt -76.64 -56.91 4.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.413 ' CG ' ' HB2' ' A' ' 59' ' ' PRO . 90.9 mt-30 -53.65 -44.28 69.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.86 -39.27 71.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -61.71 -41.22 97.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.89 24.11 76.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -108.6 122.4 40.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 143.91 52.31 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.556 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.8 m95 67.15 36.47 4.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 99.0 m -99.86 96.68 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.166 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.506 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 14.1 p90 -92.15 164.82 13.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.833 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD11 ' CD2' ' A' ' 10' ' ' HIS . 1.8 pp -166.76 137.89 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.559 HG21 ' CE3' ' A' ' 8' ' ' TRP . 59.7 t -93.6 142.0 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -158.82 147.3 18.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -80.11 158.46 26.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t -98.51 164.91 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mp -109.54 -47.4 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.4 t -67.43 -62.64 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -68.01 122.16 82.79 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.619 0.723 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 113.62 3.43 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.71 2.273 . . . . 0.0 112.403 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.86 54.24 34.93 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.423 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.33 127.94 36.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.448 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 43.5 m-85 -90.94 155.76 18.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 45' ' ' LEU . 21.2 t -133.79 144.82 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.458 ' N ' HG13 ' A' ' 44' ' ' VAL . 32.5 tp -119.06 108.33 14.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.6 m -103.15 134.38 46.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.45 ' CG1' HG11 ' A' ' 105' ' ' VAL . 85.3 t -136.75 143.59 34.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 tp -98.96 98.92 9.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.4 p -60.15 155.2 17.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.509 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.7 OUTLIER -75.89 -0.49 21.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -90.29 115.67 64.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.537 0.684 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 150.84 68.89 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.655 2.237 . . . . 0.0 112.357 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -57.43 -50.69 72.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.25 -45.93 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.055 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.77 -145.99 7.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 93.02 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.642 2.228 . . . . 0.0 112.322 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 140.96 -31.59 2.18 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.8 p -75.86 153.76 85.01 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.701 0.762 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 60' ' ' LEU . 53.7 Cg_endo -69.72 115.73 4.22 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.72 2.28 . . . . 0.0 112.384 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 59' ' ' PRO . 46.3 mt -35.62 153.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 -74.79 145.48 42.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.09 135.95 49.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 65.1 m -111.27 108.36 17.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -91.98 119.74 31.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 37.5 mt -118.27 129.01 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' CG ' ' HD2' ' B' ' 8' ' ' PTR . 33.3 mtmt -85.4 104.09 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.9 t -79.02 115.03 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 25.7 mtm -86.49 149.62 24.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.3 t -111.46 120.06 40.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -108.82 84.92 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.29 54.11 36.98 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.98 -36.4 3.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -80.37 166.65 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.565 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 24.1 m-85 -121.6 139.92 52.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.988 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.6 t -139.97 148.07 41.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 76' ' ' VAL . 30.0 m -112.62 88.04 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 46.94 28.43 3.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -133.77 160.69 24.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.24 -19.27 62.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.46 177.62 3.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.7 p -151.03 171.33 17.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 84.0 m-85 -148.39 127.72 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 82' ' ' PHE . 3.4 m-20 -34.44 -55.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.432 ' HA ' ' CE2' ' A' ' 74' ' ' TYR . 6.9 t -153.61 -175.3 5.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.565 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 4.4 mm? -54.49 -33.76 60.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.9 m -60.98 -56.84 16.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.22 -44.22 95.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.893 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.9 tt -63.6 -65.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.5 t -50.7 -58.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -45.51 -56.42 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -56.24 -21.34 22.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.483 ' CD1' HG13 ' A' ' 97' ' ' ILE . 4.6 m-85 -93.79 -24.19 17.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -67.21 -20.71 65.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -104.73 -41.0 5.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 68.1 p -82.16 -55.0 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.33 162.61 21.72 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.46 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.483 HG13 ' CD1' ' A' ' 92' ' ' PHE . 46.3 mt -116.39 133.1 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.55 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 17.9 tt0 -104.92 133.64 49.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -95.08 143.15 26.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -38.01 -65.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.7 p -41.5 -37.11 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.13 -32.54 2.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.43 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.85 154.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.1 m-85 -126.66 120.25 29.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.45 HG11 ' CG1' ' A' ' 47' ' ' VAL . 93.6 t -92.28 134.66 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.556 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.7 m-85 -121.92 137.11 54.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.506 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.7 mp -113.28 99.96 8.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.826 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.457 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 37.4 mtp180 -96.77 -45.38 6.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -143.54 143.5 24.06 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.548 0.69 . . . . 0.0 110.956 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -164.08 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 91.2 t80 -141.89 109.88 5.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -95.27 123.44 38.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 97.6 p -44.99 167.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.8 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.34 86.21 0.83 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -40.72 4.92 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 117' ' ' SER . 10.7 t -136.44 155.14 50.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 116' ' ' SER . 1.5 t -34.64 101.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.089 -0.839 . . . . 0.0 112.481 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ttt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -171.91 123.21 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.81 105.59 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -118.15 -27.58 6.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -126.19 -162.83 11.38 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 32.9 m -119.53 144.3 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 mm -75.74 144.1 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.406 ' HD2' ' CG ' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 68.4 m -48.05 169.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.83 -175.09 3.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.453 HD22 ' CG2' ' A' ' 97' ' ' ILE . 63.2 mt -111.68 -175.14 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.414 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 0.8 OUTLIER -80.84 -46.39 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.608 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -47.21 -52.27 36.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.9 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.608 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.9 Cg_endo -69.76 148.32 64.84 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.643 2.229 . . . . 0.0 112.356 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.148 0 C-N-CA 122.701 2.267 . . . . 0.0 112.315 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.2 p -61.07 170.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 0.0 110.842 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.3 p -74.41 -54.65 7.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.79 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.5 146.12 5.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -78.96 137.81 37.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 110.855 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 m -110.62 -53.3 2.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.5 -141.34 16.04 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.579 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -115.05 26.91 9.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 0.0 110.943 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.551 ' CD1' HG11 ' A' ' 33' ' ' VAL . 8.3 t80 -106.91 99.15 8.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 113' ' ' SER . 35.3 m-70 -71.86 -60.47 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.3 -114.94 2.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.513 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 3.3 p80 -76.35 119.95 20.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 110.84 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.446 ' HG2' ' N ' ' A' ' 14' ' ' SER . 35.5 ttm -173.49 149.83 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.446 ' N ' ' HG2' ' A' ' 13' ' ' MET . 6.7 p -108.18 159.15 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -49.06 -60.53 6.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.4 -36.44 2.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.533 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 11.5 tp60 -71.22 -64.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -38.28 -44.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -55.72 -46.1 77.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.1 m -63.19 -50.99 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.406 ' CD1' ' O ' ' A' ' 17' ' ' GLN . 5.2 mp -58.28 -47.11 84.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.2 mt -64.58 -58.12 7.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -53.28 -36.06 60.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.67 -32.29 73.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -66.49 -41.98 88.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.801 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.33 3.03 60.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -90.12 118.83 69.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 142.04 46.92 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.48 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.3 m95 73.58 26.57 1.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.1 m -89.01 100.38 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.506 ' CG ' HD21 ' A' ' 107' ' ' LEU . 18.4 p90 -93.49 152.48 19.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.41 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -156.23 134.89 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.579 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 17.1 t -92.71 141.54 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -150.08 162.01 41.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -94.11 138.97 31.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.6 t -79.92 153.98 28.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.8 mt -96.87 -41.67 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.1 m -61.11 -55.92 26.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -100.24 105.11 34.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.568 0.699 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 3.59 2.7 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.635 2.224 . . . . 0.0 112.316 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.14 31.05 2.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.46 160.93 39.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.864 0.364 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.555 ' CD2' HD23 ' A' ' 85' ' ' LEU . 6.0 m-85 -118.24 171.48 8.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.3 t -145.44 141.79 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 tp -116.71 122.04 43.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -107.49 148.59 28.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG22 ' CB ' ' A' ' 31' ' ' PHE . 74.0 t -152.37 133.23 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.1 tp -91.2 96.89 10.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 p -57.18 152.24 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.457 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 14.4 t70 -77.51 1.19 20.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -96.47 121.04 61.11 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.555 0.693 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 147.62 63.69 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.383 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -54.74 -45.42 74.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.42 -49.01 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.044 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.82 -148.12 8.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 86.24 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.3 -27.5 1.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.53 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.1 p -82.59 153.47 67.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.683 0.754 . . . . 0.0 110.816 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.0 Cg_endo -69.76 116.25 4.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' PRO . 57.9 mt -33.94 146.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -73.42 147.17 44.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' CE1' ' A' ' 64' ' ' HIS . 60.9 t -112.48 117.74 56.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.0 m -88.98 109.83 20.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.5 ' CE1' ' CG1' ' A' ' 62' ' ' VAL . 76.6 m-70 -99.3 109.29 21.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.3 mt -111.28 128.25 67.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.518 ' HG3' ' CD1' ' B' ' 8' ' ' PTR . 6.4 mtmp? -72.59 134.56 45.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.2 t -109.88 94.29 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.7 mtm -73.17 165.27 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 33.4 t -122.6 126.58 48.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -129.06 118.45 22.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.45 27.9 68.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.06 -19.59 52.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.416 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.424 ' CB ' ' HB ' ' A' ' 81' ' ' THR . 1.7 mpt_? -88.96 -178.38 5.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.519 ' OH ' ' CZ ' ' A' ' 43' ' ' PHE . 31.7 m-85 -120.63 143.98 48.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -142.87 169.76 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.6 m -134.64 88.88 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 53.37 20.1 9.93 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -132.62 165.47 23.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.553 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.7 mt -76.6 -15.83 59.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.736 0.303 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -67.6 168.52 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.424 ' HB ' ' CB ' ' A' ' 73' ' ' ARG . 65.6 p -151.62 158.26 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.536 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 60.0 m-85 -135.11 131.66 37.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 82' ' ' PHE . 2.0 m-20 -34.27 -43.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.472 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 3.1 m -166.63 176.99 6.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.555 HD23 ' CD2' ' A' ' 43' ' ' PHE . 4.1 mm? -45.13 -29.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.0 m -67.11 -57.11 7.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.81 -29.56 68.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.536 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 8.4 tt -77.06 -64.85 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.452 HG13 ' CE2' ' A' ' 31' ' ' PHE . 96.8 t -53.1 -58.0 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -44.9 -57.99 3.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -54.23 -22.14 10.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.475 ' CD1' HG13 ' A' ' 97' ' ' ILE . 2.6 m-85 -93.56 -21.0 19.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -71.92 -15.32 62.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -106.23 -36.68 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.3 p -95.24 -63.0 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.51 158.6 16.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.541 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.475 HG13 ' CD1' ' A' ' 92' ' ' PHE . 22.1 mt -99.59 146.32 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 111.181 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.518 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 29.7 tt0 -119.0 111.53 18.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -78.36 136.96 37.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 101' ' ' SER . . . -43.0 -55.72 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 100' ' ' ALA . 1.7 t -37.04 -48.79 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.09 29.92 0.33 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -114.72 155.62 26.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 10.5 m-85 -124.81 117.14 23.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.426 ' CG1' ' CG1' ' A' ' 47' ' ' VAL . 85.1 t -88.19 136.98 21.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.48 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 20.0 m-85 -121.07 143.42 49.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.506 HD21 ' CG ' ' A' ' 31' ' ' PHE . 2.4 mp -121.86 93.28 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.45 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 22.2 mtp85 -88.39 -49.03 7.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -140.37 143.48 33.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.72 . . . . 0.0 110.962 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.486 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.82 -166.79 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -132.03 112.11 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.486 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.3 m-85 -96.47 119.3 34.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.439 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 4.9 p -71.17 -48.28 52.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 68.63 77.4 0.38 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.51 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 107.8 1.93 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.78 2.32 . . . . 0.0 112.308 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.7 t -98.02 -53.13 3.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.5 t -99.27 97.12 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.434 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.0 tpp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.782 0.325 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.94 -65.07 1.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -48.65 151.19 1.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.622 ' H ' ' NE2' ' B' ' 4' ' ' GLN . 1.6 pm0 -133.37 154.69 50.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.29 140.6 10.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.1 m -91.77 146.98 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.792 0.33 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 mm -68.98 158.36 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.518 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m -50.39 112.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.83 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.65 -179.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mp -119.53 -174.28 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.524 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 1.8 p30 -79.37 -54.84 5.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.645 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -42.83 -51.3 12.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.906 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.645 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.5 Cg_endo -69.79 154.87 67.1 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.742 2.294 . . . . 0.0 112.342 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 t -51.23 151.65 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.927 0.394 . . . . 0.0 110.831 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 p -142.53 145.21 33.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.99 -74.18 1.28 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 m 39.99 47.2 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.908 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -79.11 -65.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.62 -113.52 3.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.566 ' CE3' HG23 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -114.42 28.64 8.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.75 0.31 . . . . 0.0 110.93 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -104.86 110.23 22.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.44 ' CG ' ' HE3' ' A' ' 13' ' ' MET . 32.5 m-70 -85.54 -53.24 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.2 -92.17 1.08 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -75.11 97.91 3.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 110.816 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.44 ' HE3' ' CG ' ' A' ' 10' ' ' HIS . 34.6 ttm -153.74 152.82 31.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.4 m -120.44 155.76 32.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.75 -69.29 0.89 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.538 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.51 -30.26 3.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' THR . 6.8 tt0 -72.63 -65.34 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 110.963 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -35.69 -46.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -57.11 -47.18 81.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' GLN . 91.4 m -60.05 -47.44 85.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.18 -47.09 87.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.0 mt -66.47 -63.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -48.2 -47.91 35.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.46 -42.65 74.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -55.63 -34.89 65.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.97 22.2 64.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -108.53 120.59 45.94 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.635 0.731 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 143.36 50.31 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.8 m95 69.07 32.99 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 85.2 m -97.11 97.26 9.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.535 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 26.8 p90 -91.55 155.5 18.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -158.93 129.8 6.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.566 HG23 ' CE3' ' A' ' 8' ' ' TRP . 6.0 t -88.81 143.02 12.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.059 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -153.74 124.89 7.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -39.82 160.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -100.99 105.35 16.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.4 mt -58.61 -59.37 5.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.9 t -42.22 -71.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 40' ' ' PRO . 0.9 OUTLIER -91.83 119.96 68.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.657 0.741 . . . . 0.0 110.891 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 54.0 Cg_endo -69.8 104.68 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.84 -27.5 6.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.55 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -72.68 166.58 22.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -130.86 172.29 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.5 t -144.76 145.58 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.407 HD23 ' CD1' ' A' ' 97' ' ' ILE . 15.5 tp -118.61 90.19 3.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 t -84.63 136.41 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.83 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.462 ' CG1' HG13 ' A' ' 105' ' ' VAL . 74.9 t -140.05 140.7 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.436 ' CD1' HG23 ' A' ' 62' ' ' VAL . 23.3 tp -95.26 96.14 8.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 p -59.21 144.59 45.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.558 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.5 OUTLIER -68.17 -3.5 10.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -87.62 115.91 64.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.516 0.674 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 150.72 68.65 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.33 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -59.49 -46.17 89.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.09 -48.97 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.01 -148.62 9.02 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.495 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 83.15 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.71 -24.97 0.74 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.427 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.5 p -84.6 153.2 61.29 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 60' ' ' LEU . 53.8 Cg_endo -69.72 114.1 3.59 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.3 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 59' ' ' PRO . 83.6 mt -34.52 147.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -70.04 146.27 51.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.436 HG23 ' CD1' ' A' ' 48' ' ' LEU . 59.3 t -113.34 115.16 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 78.6 m -85.82 121.64 28.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -107.58 106.52 16.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.7 mt -114.28 125.2 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.508 ' HG3' ' CD2' ' B' ' 8' ' ' PTR . 36.9 mtpt -78.3 136.14 37.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.952 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 74' ' ' TYR . 21.4 t -108.46 99.31 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 20.5 mtm -67.54 151.1 47.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.2 t -131.58 115.84 16.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -112.65 103.89 11.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.91 -42.45 2.7 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 174.72 -26.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -79.95 164.79 23.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.371 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.558 ' CE2' HD21 ' A' ' 85' ' ' LEU . 28.5 m-85 -118.35 141.98 47.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.1 t -147.72 156.58 42.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.2 m -121.39 87.55 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.64 23.77 7.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.24 158.93 21.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 23.5 mt -71.91 -17.01 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 81' ' ' THR . 9.6 mt-10 -67.54 178.96 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 64.0 p -160.13 158.12 29.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.501 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 63.8 m-85 -138.88 145.56 40.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.26 -51.95 30.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.491 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 3.2 m -158.04 179.22 9.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.558 HD21 ' CE2' ' A' ' 74' ' ' TYR . 4.4 mm? -47.72 -33.42 6.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.7 m -65.1 -55.03 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -62.02 -37.19 83.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.501 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.7 tt -70.57 -65.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 72.4 t -48.81 -57.75 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -44.94 -55.42 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -58.01 -21.6 45.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -93.64 -24.52 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -66.54 -17.8 65.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -106.43 -37.08 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 65.0 p -90.12 -59.99 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.59 155.89 23.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.578 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.407 ' CD1' HD23 ' A' ' 45' ' ' LEU . 22.9 mt -98.83 143.78 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.731 0.3 . . . . 0.0 111.149 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.411 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 26.8 tt0 -113.45 111.34 21.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -78.58 137.45 37.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -38.68 -55.87 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.4 p -40.9 -39.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 126.36 21.55 1.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -99.5 156.56 16.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 111.084 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 9.9 m-85 -127.73 103.75 7.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.462 HG13 ' CG1' ' A' ' 47' ' ' VAL . 90.0 t -76.29 136.57 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.563 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.5 m-85 -117.6 126.02 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.535 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 2.2 mp -102.11 75.78 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.502 ' HG3' ' CD1' ' A' ' 29' ' ' TRP . 2.5 mmp_? -72.26 -57.39 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 -134.05 142.35 43.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 53.4 Cg_endo -69.7 -163.67 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.469 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 67.5 t80 -142.58 115.62 8.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -93.8 -52.79 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.6 p -174.73 168.15 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -102.92 144.54 16.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 117' ' ' SER . 53.7 Cg_endo -69.7 130.04 18.71 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.1 t -53.32 88.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 115' ' ' PRO . 4.1 m 55.1 39.36 31.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.503 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -147.61 126.15 12.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -155.31 115.61 3.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -98.84 156.15 17.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 88.78 101.94 0.99 Allowed Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.524 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.8 m -80.02 145.44 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.774 0.321 . . . . 0.0 111.102 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 12.8 mm -66.99 155.16 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.508 ' CD2' ' HG3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -81.19 115.65 20.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.813 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . 0.402 ' C ' ' CD1' ' B' ' 11' ' ' LEU . 0.5 OUTLIER -70.61 -175.59 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.499 ' CD1' ' N ' ' B' ' 11' ' ' LEU . 0.7 OUTLIER -115.95 -174.71 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.503 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 4.3 p30 -77.39 -54.12 6.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.617 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -42.07 -52.21 9.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.892 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.3 Cg_endo -69.84 149.78 66.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.34 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -46.0 155.7 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.5 m -105.92 144.26 32.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.44 -155.76 7.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 m 54.64 47.61 22.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 0.0 110.884 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p -112.55 175.44 5.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.62 -165.21 37.06 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.537 ' CE3' HG22 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -106.69 29.73 6.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.774 0.321 . . . . 0.0 110.935 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -104.06 119.47 39.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -97.64 -63.28 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.27 -123.36 5.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.529 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -61.29 115.29 3.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.825 0.345 . . . . 0.0 110.829 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.5 tpp -159.63 152.35 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.5 m -107.39 145.81 32.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.82 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.41 -72.98 0.25 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.42 -26.22 0.95 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.459 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 7.5 tp60 -66.5 -64.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.39 -50.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -47.25 -49.46 23.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 m -60.78 -62.48 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.425 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 4.8 mp -46.32 -52.53 12.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.421 ' CD2' HD23 ' A' ' 32' ' ' LEU . 18.7 mt -59.5 -67.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.98 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -41.85 -43.18 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.23 -41.59 72.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -36.96 75.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.96 27.06 70.74 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -114.59 122.04 34.73 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 142.76 49.01 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.77 2.313 . . . . 0.0 112.327 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.508 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.3 m95 71.38 26.64 3.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.4 m -90.2 96.68 10.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.209 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.524 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 21.1 p90 -90.98 165.35 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.421 HD23 ' CD2' ' A' ' 22' ' ' LEU . 2.9 pp -167.9 138.36 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.537 HG22 ' CE3' ' A' ' 8' ' ' TRP . 36.1 t -98.03 145.22 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' GLU . 41.9 ptt85 -157.87 115.87 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' ARG . 2.2 tt0 -36.96 155.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 p -64.72 -175.47 0.19 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -115.01 -64.64 1.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.7 m -127.13 39.71 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -122.46 141.96 36.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.625 0.726 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.8 Cg_endo -69.76 122.47 9.15 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.629 2.219 . . . . 0.0 112.345 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 34.16 60.1 0.59 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.442 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 9.4 t70 -131.59 169.96 15.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.453 ' CZ ' ' OH ' ' A' ' 74' ' ' TYR . 12.5 m-85 -141.97 173.46 11.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.43 HG11 ' N ' ' A' ' 45' ' ' LEU . 93.9 t -136.42 136.16 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.182 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.43 ' N ' HG11 ' A' ' 44' ' ' VAL . 19.4 tp -118.29 104.58 10.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.3 m -99.71 141.06 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.4 t -142.96 135.23 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.414 ' HG ' ' CB ' ' A' ' 60' ' ' LEU . 16.9 tp -89.02 97.75 11.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.5 p -56.63 158.26 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.791 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.507 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 5.1 t70 -83.39 2.09 38.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -94.33 110.41 48.43 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.55 0.691 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 153.98 68.14 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.712 2.274 . . . . 0.0 112.289 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -60.05 -55.05 38.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -116.38 -60.45 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -148.06 -154.28 6.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -19.16 36.46 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.638 2.225 . . . . 0.0 112.305 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -91.18 -17.23 51.51 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.8 p -84.59 152.71 60.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.678 0.751 . . . . 0.0 110.792 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 142.0 46.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.263 . . . . 0.0 112.291 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.414 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 72.4 mt -64.91 142.12 58.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -66.27 150.41 48.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.1 t -115.16 127.68 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.1 m -100.76 110.14 22.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.199 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -94.16 123.21 37.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.4 mt -131.86 112.91 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -71.26 113.4 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.5 t -82.06 115.92 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.149 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 42.7 mtm -77.39 174.55 10.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 31.7 t -141.71 114.98 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.03 82.12 5.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.14 -74.07 1.47 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -128.57 -14.63 2.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.45 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -103.39 -178.79 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.573 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 26.4 m-85 -125.96 150.54 47.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.8 t -156.18 154.57 31.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.437 ' HB ' ' CD2' ' B' ' 11' ' ' LEU . 13.5 m -123.69 86.06 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.01 -50.52 3.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.59 163.01 49.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 77.9 mt -75.99 -21.18 57.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.963 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -52.54 173.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.5 p -153.06 164.78 37.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.494 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 77.8 m-85 -143.15 135.61 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 82' ' ' PHE . 4.4 m-20 -37.8 -39.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 t -174.63 -178.73 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.573 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 3.6 mm? -44.96 -32.64 1.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.9 m -64.42 -59.67 4.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.11 -37.57 74.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.494 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.2 tt -69.55 -64.12 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.452 ' N ' HD23 ' A' ' 88' ' ' LEU . 72.3 t -53.18 -59.73 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -44.61 -59.8 2.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -55.21 -21.03 12.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -93.66 -15.9 24.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -77.17 -16.21 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -105.98 -35.62 7.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 73.2 p -93.2 -54.62 3.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.09 167.74 21.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.422 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 50.5 mt -113.82 125.1 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.761 0.315 . . . . 0.0 111.157 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.609 ' CD ' ' CE2' ' A' ' 104' ' ' PHE . 4.9 tp10 -95.14 120.45 35.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -88.29 156.45 19.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.9 -54.71 44.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.063 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -39.93 -42.28 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 128.72 25.55 1.01 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -108.97 159.16 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 111.081 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.609 ' CE2' ' CD ' ' A' ' 98' ' ' GLU . 8.7 m-85 -124.51 103.48 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 78.1 t -73.54 139.53 19.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.508 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 19.7 m-85 -122.59 140.81 52.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.524 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 2.0 mp -118.95 90.45 3.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.969 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.46 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 21.5 mtm180 -86.42 -45.32 11.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -145.98 142.24 17.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.528 0.68 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.506 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 54.1 Cg_endo -69.75 -164.05 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.39 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 113' ' ' SER . 69.0 t80 -133.5 107.22 7.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.968 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.506 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 35.0 m-85 -96.3 44.29 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 35.0 p 36.44 42.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.55 -162.24 53.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.441 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 125.65 12.36 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.651 2.234 . . . . 0.0 112.389 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 69.8 m -123.35 111.0 15.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.8 t -43.8 -45.87 7.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.505 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.5 mmt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.795 0.331 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -79.09 117.73 20.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -92.77 116.89 29.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -45.49 -54.4 7.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.04 144.61 3.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m -86.04 136.56 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 111.136 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 7.5 mm -70.77 147.42 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.197 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.3 m -54.62 139.12 39.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.46 164.6 12.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.437 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -93.37 -173.25 3.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.549 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 2.0 p30 -91.59 -55.77 3.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.622 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.1 OUTLIER -41.3 -52.46 7.55 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.565 0.698 . . . . 0.0 110.883 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.6 Cg_endo -69.71 147.49 63.34 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.37 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.144 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 p -69.11 121.56 16.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -67.76 89.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.36 142.3 13.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.418 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -95.91 123.83 39.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.817 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -72.5 -51.59 19.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.2 -116.5 0.42 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.56 ' CE3' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -116.61 29.14 8.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.783 0.325 . . . . 0.0 110.891 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -101.73 123.71 46.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.983 0.42 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -104.84 -62.12 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.47 -109.52 2.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -57.29 106.35 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.756 0.312 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.8 ttm -172.45 147.48 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.0 p -118.98 154.95 32.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -41.15 -51.44 4.3 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.536 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.38 -50.27 57.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.433 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 16.4 tp60 -59.39 -61.77 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -39.78 -46.61 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -55.34 -46.72 76.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -60.27 -54.7 42.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.433 ' CD1' ' O ' ' A' ' 17' ' ' GLN . 5.0 mp -55.31 -49.77 71.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.983 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.403 ' CD2' HD22 ' A' ' 32' ' ' LEU . 38.7 mt -60.69 -61.22 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.457 ' CG ' ' HB2' ' A' ' 59' ' ' PRO . 92.8 mt-30 -49.89 -56.85 8.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.56 -44.89 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -58.19 -37.99 75.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 64.36 27.87 72.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -107.67 120.22 47.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.671 0.748 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 143.01 49.54 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.402 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.553 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.5 m95 66.62 35.79 5.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.447 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 96.7 m -99.78 98.65 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.065 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.467 ' CE2' ' CD1' ' A' ' 8' ' ' TRP . 24.4 p90 -92.81 163.43 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.427 ' C ' HD12 ' A' ' 32' ' ' LEU . 3.4 pp -167.2 133.8 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.56 HG22 ' CE3' ' A' ' 8' ' ' TRP . 61.6 t -92.18 140.74 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.407 ' NH2' HG11 ' A' ' 44' ' ' VAL . 43.0 ptt85 -150.8 134.03 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -57.13 166.23 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.5 p -90.98 179.25 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.9 mt -116.66 -53.96 2.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' GLN . 9.9 m -102.0 -57.11 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' SER . 3.9 mp0 -37.12 129.49 0.77 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.714 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.8 Cg_endo -69.79 124.18 10.82 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 33.18 63.57 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.522 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -138.06 149.21 45.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CD2' HD23 ' A' ' 85' ' ' LEU . 2.1 m-85 -109.81 168.55 9.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.407 HG11 ' NH2' ' A' ' 34' ' ' ARG . 82.3 t -138.3 134.64 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.9 tp -105.35 122.92 46.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.81 148.03 37.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.456 ' CG1' HG12 ' A' ' 105' ' ' VAL . 85.4 t -153.64 143.64 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.0 tp -103.79 99.27 9.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.1 p -58.8 153.3 17.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.511 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.5 OUTLIER -75.38 -4.07 37.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -86.99 113.78 55.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.542 0.687 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 147.92 63.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.649 2.233 . . . . 0.0 112.294 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -50.91 -47.13 60.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.32 -52.8 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.062 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.41 -144.33 5.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 91.58 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 142.92 -35.3 1.71 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.43 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.3 p -72.12 152.88 92.66 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.597 0.713 . . . . 0.0 110.856 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.457 ' HB2' ' CG ' ' A' ' 23' ' ' GLN . 53.4 Cg_endo -69.79 118.03 5.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.296 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.6 mt -38.6 151.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -75.84 146.07 40.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 49.3 t -110.8 143.08 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.185 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.3 m -118.76 113.58 21.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -99.31 108.97 21.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.0 mt -110.99 108.24 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.452 ' HG3' ' CD1' ' B' ' 8' ' ' PTR . 30.9 mttp -65.53 108.08 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.7 t -79.41 113.74 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 22.6 mtm -83.32 154.18 24.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.9 t -124.3 136.77 54.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -130.68 79.44 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.53 57.23 4.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.442 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.41 -41.02 3.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -76.18 157.08 33.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.841 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.551 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 22.2 m-85 -119.22 146.89 44.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -139.21 171.86 13.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.42 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 26.8 m -134.23 96.53 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 40.46 26.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -140.57 172.48 23.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.491 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.8 mp -78.55 -27.87 45.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -56.06 164.65 1.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.7 p -143.97 164.97 29.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.535 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 86.7 m-85 -143.05 145.46 32.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -48.57 -48.39 38.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.551 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 5.2 m -166.46 -177.64 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.489 HD23 ' CD2' ' A' ' 43' ' ' PHE . 4.2 mm? -48.05 -33.77 8.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 68.8 m -64.89 -58.84 5.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -58.98 -42.9 91.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.535 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.4 tt -64.37 -62.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' A' ' 85' ' ' LEU . 95.8 t -51.99 -60.71 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -44.39 -60.09 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -50.97 -24.0 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.9 m-85 -93.87 -26.24 16.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -65.68 -18.29 65.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 pttt -106.95 -39.08 5.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.3 p -83.16 -56.32 3.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.212 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.24 157.58 14.67 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.54 HG13 ' CD1' ' A' ' 92' ' ' PHE . 45.7 mt -116.82 135.88 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 111.13 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.466 ' N ' HG22 ' A' ' 97' ' ' ILE . 24.5 tt0 -108.88 149.38 29.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -107.63 148.77 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -48.38 -49.59 34.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t -52.56 -47.27 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.72 30.59 0.25 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.422 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -103.92 157.68 16.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 111.058 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -127.22 106.08 9.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.456 HG12 ' CG1' ' A' ' 47' ' ' VAL . 83.3 t -82.54 132.91 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.553 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.9 m-85 -119.77 135.91 54.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.3 mp -113.5 96.98 6.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.464 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 24.0 mtm180 -92.74 -45.21 8.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.4 pm0 -146.37 143.82 19.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -165.07 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.361 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.447 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 94.4 t80 -135.91 113.14 10.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -97.88 154.26 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.8 t -96.32 94.17 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -119.8 154.3 16.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -8.64 24.12 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.6 2.2 . . . . 0.0 112.315 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.6 t -125.0 148.25 48.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.6 m -140.89 129.25 22.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.431 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.3 tpt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.765 0.317 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.69 127.13 31.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -92.74 -48.11 6.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -102.25 -52.48 3.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.98 175.54 32.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.421 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 33.8 m -70.59 143.14 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 11.5 mm -73.71 149.81 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.452 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -46.43 173.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.792 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.0 -176.34 4.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 76.8 mt -108.86 -175.11 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.461 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 0.7 OUTLIER -81.28 -49.27 10.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.622 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -42.01 -51.99 9.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.877 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.5 Cg_endo -69.73 147.47 63.15 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.73 2.287 . . . . 0.0 112.298 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.224 0 C-N-CA 122.675 2.25 . . . . 0.0 112.286 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -83.6 177.98 8.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -108.04 135.64 49.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.3 64.41 0.2 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.448 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -116.77 164.01 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 m -116.75 40.0 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.27 -105.19 0.73 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.538 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.567 ' CE3' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -116.36 26.69 9.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.36 . . . . 0.0 110.927 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -100.46 120.12 39.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.404 ' CD2' HD12 ' A' ' 32' ' ' LEU . 77.6 m-70 -100.96 -45.05 5.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.48 -117.22 5.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.43 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -61.51 101.22 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.5 tpp -157.56 127.28 6.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.8 p -84.28 149.04 26.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.48 -60.12 3.85 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.34 -43.17 9.83 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.443 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 3.7 tp60 -58.02 -64.45 0.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.763 0.316 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -36.86 -52.73 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -48.49 -47.83 38.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.5 m -60.24 -59.69 5.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.1 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.529 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 4.8 mp -50.4 -47.58 56.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.1 mt -61.61 -65.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -46.47 -54.05 9.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.33 -40.99 5.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.073 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -61.85 -38.14 87.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.53 17.37 66.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.526 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -100.47 122.02 51.17 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.716 0.77 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 142.06 47.26 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.748 2.299 . . . . 0.0 112.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.557 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 8.0 m95 68.75 34.54 3.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.6 m -97.01 97.52 9.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 33.3 p90 -87.83 167.35 13.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD12 ' CD2' ' A' ' 10' ' ' HIS . 0.7 OUTLIER -168.82 132.91 1.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.567 HG22 ' CE3' ' A' ' 8' ' ' TRP . 50.5 t -92.81 150.82 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.7 ptt85 -167.73 128.89 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -43.72 154.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 6.1 t -93.48 148.88 21.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.3 mt -103.57 -57.65 2.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 m -43.81 -61.73 1.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -104.4 130.35 23.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.621 0.724 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 139.62 40.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.44 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 82.28 -38.4 2.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 36' ' ' SER . 6.9 t0 -63.4 155.75 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 5.3 m-85 -118.26 178.05 4.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.0 t -145.96 139.2 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 tp -116.17 110.12 18.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.8 m -99.86 141.39 32.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.433 HG23 ' CB ' ' A' ' 31' ' ' PHE . 96.9 t -142.38 148.05 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.404 ' CD1' HG23 ' A' ' 62' ' ' VAL . 20.1 tp -103.66 97.48 7.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.8 p -59.2 150.69 24.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.804 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 2.1 t70 -74.87 0.75 14.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -89.87 114.29 60.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.717 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.52 60.42 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.653 2.236 . . . . 0.0 112.369 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -50.82 -57.42 8.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -109.32 -61.2 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -163.83 -148.39 5.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.63 84.77 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.388 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.38 -28.84 0.87 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 p -75.11 155.23 86.4 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 60' ' ' LEU . 53.6 Cg_endo -69.79 115.73 4.23 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' PRO . 52.2 mt -36.24 147.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -72.97 151.49 41.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.481 HG12 ' CE1' ' A' ' 64' ' ' HIS . 23.4 t -115.24 134.46 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 57.8 m -106.88 106.76 17.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.168 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.481 ' CE1' HG12 ' A' ' 62' ' ' VAL . 82.2 m-70 -93.42 114.74 27.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 21.9 mt -125.73 131.73 71.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.432 ' HG3' ' CD1' ' B' ' 8' ' ' PTR . 6.4 mtmp? -79.01 141.59 37.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.9 t -113.34 108.64 26.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 41.1 mtm -75.27 160.76 29.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.1 t -128.51 122.75 31.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -108.33 92.2 3.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 50.95 62.12 5.59 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.21 -37.56 3.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -78.18 173.47 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.35 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.495 ' CE2' HD22 ' A' ' 85' ' ' LEU . 30.2 m-85 -134.26 150.91 51.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.057 0.456 . . . . 0.0 110.883 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.9 t -154.82 166.15 34.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.6 m -129.92 87.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.09 -61.0 2.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.74 174.2 2.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.449 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 mp -84.76 -14.48 48.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.72 0.295 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -53.48 172.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.1 p -156.96 152.71 27.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.15 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.496 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 67.0 m-85 -130.72 154.99 47.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -55.78 -45.99 78.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.404 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 26.5 p -165.79 -175.91 3.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.495 HD22 ' CE2' ' A' ' 74' ' ' TYR . 2.9 mm? -50.86 -33.71 25.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.5 m -65.58 -56.16 13.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.15 -39.36 92.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.496 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 7.9 tt -66.61 -59.0 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 73.1 t -57.4 -57.97 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -44.65 -54.92 5.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -56.11 -24.03 37.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -93.73 -18.85 21.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -74.45 -15.56 60.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -106.71 -36.43 6.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.3 p -91.56 -64.75 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 118.93 157.68 10.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.419 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 41.0 mt -103.16 136.75 34.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.772 0.32 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 55.6 tt0 -108.35 117.32 33.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.431 ' OE2' ' CB ' ' B' ' 9' ' ' SER . 5.3 mm-40 -87.27 154.23 20.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' SER . . . -56.42 -57.42 12.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' ALA . 3.7 m -35.45 -43.94 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.32 23.79 1.09 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -107.85 162.27 14.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 111.077 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.0 m-85 -128.8 107.25 9.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.4 t -79.18 140.25 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.557 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 18.2 m-85 -122.41 143.57 49.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.468 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -122.67 95.11 4.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.411 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 41.7 mtp180 -90.99 -40.41 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -150.68 143.25 16.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.71 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.44 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.3 Cg_endo -69.76 -165.22 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 0.0 112.281 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 86.6 t80 -130.87 115.4 16.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.968 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.44 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.4 m-85 -99.61 137.53 37.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.5 m -110.24 -58.09 2.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 153.42 171.08 20.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.395 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -29.77 23.63 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.73 2.287 . . . . 0.0 112.36 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.6 p -82.24 176.68 9.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 p -140.37 122.41 15.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.541 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.778 0.323 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -149.78 128.81 12.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -140.82 146.7 37.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -115.39 173.83 6.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.12 162.0 8.11 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 m -92.39 146.93 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 11.6 mm -71.71 149.24 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.432 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.431 ' CB ' ' OE2' ' A' ' 99' ' ' GLU . 1.9 m -70.78 108.51 4.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.1 172.12 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.464 ' N ' HD13 ' B' ' 11' ' ' LEU . 8.6 mp -101.76 -172.82 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.557 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 2.0 p30 -91.07 -55.98 3.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.626 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -41.55 -52.32 8.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.59 0.71 . . . . 0.0 110.93 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.4 Cg_endo -69.85 162.74 40.95 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.317 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.373 179.883 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -121.47 121.03 36.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -55.69 97.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.814 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.82 -142.24 17.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 t -54.97 129.73 38.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.906 0.384 . . . . 0.0 110.804 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -79.03 157.16 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.43 -140.18 4.53 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.55 ' CE3' HG23 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -107.37 28.71 7.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.754 0.311 . . . . 0.0 110.91 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -102.52 113.26 26.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -89.06 -56.4 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.89 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.14 -112.16 3.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -77.28 126.07 30.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.749 0.309 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.3 ttm -174.26 138.64 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.3 t -76.01 139.45 41.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.0 -58.06 4.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.541 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.24 -28.5 50.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.544 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 18' ' ' ALA . 12.2 tt0 -61.83 -64.28 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -35.97 -51.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -45.65 -48.66 14.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.6 m -61.11 -66.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mp -41.9 -44.18 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.984 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.454 ' CD2' HD22 ' A' ' 32' ' ' LEU . 32.1 mt -67.25 -60.09 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.448 ' CG ' ' HB2' ' A' ' 59' ' ' PRO . 98.3 mt-30 -50.33 -59.05 4.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.53 -39.23 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -61.21 -43.98 98.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.85 6.42 72.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.451 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.89 120.4 69.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 0.0 110.771 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 143.78 51.52 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.473 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 9.2 m95 68.51 31.28 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.43 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 88.2 m -92.04 96.87 10.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.425 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 17.3 p90 -90.1 159.03 17.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.454 HD22 ' CD2' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -161.95 128.46 3.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.55 HG23 ' CE3' ' A' ' 8' ' ' TRP . 5.3 t -89.68 145.94 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -162.6 120.94 2.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -46.57 153.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 t -59.8 -176.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 mt -113.23 -43.71 3.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.9 p -115.2 -19.07 10.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 3.3 tp-100 -89.5 108.39 24.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.72 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 39' ' ' GLN . 54.4 Cg_endo -69.72 110.63 2.59 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.538 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 105.22 -55.05 0.58 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.444 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -43.41 164.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.756 0.313 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.538 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 59.3 m-85 -134.93 -178.38 5.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.457 ' CG2' ' HE2' ' B' ' 8' ' ' PTR . 40.2 t -153.93 148.48 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.4 tp -127.77 99.74 5.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 m -90.19 133.72 34.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -134.77 142.28 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.4 tp -97.22 96.52 8.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.9 p -53.61 156.26 2.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.815 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.45 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 2.5 t70 -78.7 1.6 22.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -97.88 126.05 42.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.624 0.726 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 158.59 56.45 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.62 2.213 . . . . 0.0 112.358 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -61.53 -48.26 81.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.42 -51.65 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -171.39 -149.9 6.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 90.85 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.31 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.24 -29.94 1.62 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.8 p -78.38 152.95 79.03 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.676 0.751 . . . . 0.0 110.844 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.448 ' HB2' ' CG ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.81 120.43 7.21 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.292 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 59' ' ' PRO . 29.0 mt -35.48 147.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -71.38 148.49 46.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.2 t -112.43 135.97 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 98.7 m -112.64 116.04 29.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.111 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -101.21 105.19 16.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.781 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.5 mt -103.37 131.25 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -79.24 124.77 28.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.8 t -105.08 92.78 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 43.9 mtm -62.82 169.26 3.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.6 t -136.6 128.85 29.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -122.43 83.02 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.98 54.84 22.41 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.52 -28.86 7.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -75.4 175.67 8.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.477 ' CD2' HD22 ' A' ' 85' ' ' LEU . 41.2 m-85 -143.92 143.63 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.4 t -152.54 162.54 41.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.151 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.45 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 33.7 m -127.59 86.51 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.026 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.84 -48.67 2.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.539 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.21 164.5 52.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.46 -25.06 57.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -46.18 170.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.0 p -157.65 159.63 37.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.508 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 70.7 m-85 -137.57 143.81 41.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -46.44 -35.09 5.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.461 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 2.8 m -173.61 173.28 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.477 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.1 mm? -41.93 -62.88 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.1 m -40.8 -47.39 2.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -67.39 -39.62 85.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.508 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.3 tt -69.4 -65.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.402 ' N ' HD22 ' A' ' 88' ' ' LEU . 56.5 t -45.88 -58.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -43.57 -61.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -52.36 -23.56 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.799 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -93.74 -18.42 22.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -71.89 -20.86 61.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.5 pttp -106.27 -40.91 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.7 p -82.89 -47.56 11.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.87 165.32 35.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.507 ' CG2' ' CD1' ' B' ' 11' ' ' LEU . 14.1 mt -109.92 142.73 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.113 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.466 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 23.5 tt0 -116.62 90.61 3.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -55.91 156.89 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 101' ' ' SER . . . -56.17 -60.15 3.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' ALA . 2.1 m -36.25 -37.83 0.13 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 123.18 26.28 1.7 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -103.9 149.46 25.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.466 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 8.8 m-85 -115.14 104.92 12.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 73.1 t -83.14 132.01 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.473 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 20.0 m-85 -116.79 138.86 51.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.425 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.5 mp -115.24 96.77 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.971 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.444 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 11.4 mtm180 -91.62 -48.45 6.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -142.57 143.61 27.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.403 ' CB ' ' HB3' ' A' ' 8' ' ' TRP . 54.6 Cg_endo -69.69 -165.1 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.691 2.261 . . . . 0.0 112.403 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.43 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 77.5 t80 -140.56 120.12 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -103.58 146.87 27.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.9 t -120.32 171.23 8.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.35 -93.25 0.49 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -17.07 37.79 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.615 2.21 . . . . 0.0 112.384 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 85.3 p -64.62 109.21 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.2 t 50.58 51.95 15.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.538 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.713 0.292 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.51 157.51 37.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -103.86 135.08 46.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -80.87 -57.45 3.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 140.21 -172.91 23.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.516 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 13.7 m -102.03 154.87 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.749 0.309 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 12.0 mm -71.53 151.55 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.457 ' HE2' ' CG2' ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 54.2 m -82.76 114.33 21.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -178.26 1.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.507 ' CD1' ' CG2' ' A' ' 97' ' ' ILE . 3.7 mm? -103.67 -174.05 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.519 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 1.9 p30 -78.41 -54.82 5.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.64 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -43.78 -51.49 16.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.741 . . . . 0.0 110.952 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.3 Cg_endo -69.8 163.71 37.29 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.639 2.226 . . . . 0.0 112.325 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.203 0 C-N-CA 122.697 2.265 . . . . 0.0 112.356 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.209 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 p -85.65 163.21 18.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 m -150.79 112.54 4.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.808 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.42 -157.08 29.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -61.6 104.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.839 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.3 p -170.95 148.89 2.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.88 -80.89 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.562 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -119.75 28.3 8.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 110.885 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -104.83 123.33 47.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -98.12 -69.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' MET . . . 117.97 -119.04 4.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -53.34 84.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.772 0.32 . . . . 0.0 110.833 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' GLY . 14.9 tpp -140.63 143.52 35.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 m -109.93 159.26 17.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.88 -74.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.61 -33.68 0.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ALA . 11.7 tt0 -66.61 -65.31 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.339 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -35.07 -49.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -54.45 -48.69 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' GLN . 81.5 m -56.92 -52.7 64.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.524 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 5.0 mp -56.55 -58.89 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.8 mt -54.23 -61.55 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -48.92 -51.61 29.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.15 -37.86 55.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -57.99 -42.9 86.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.7 6.82 67.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.545 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -95.51 120.49 63.56 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.687 0.756 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 142.4 47.95 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.452 ' CD1' ' HD2' ' A' ' 108' ' ' ARG . 7.6 m95 71.35 32.02 2.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.1 m -92.99 101.0 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 22.9 p90 -95.07 160.57 14.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 pp -167.1 142.58 4.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.562 HG21 ' CE3' ' A' ' 8' ' ' TRP . 36.8 t -96.34 135.88 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.0 ptt85 -144.42 111.46 5.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -47.7 122.1 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 t -58.27 151.42 19.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.9 mt -92.68 -46.86 7.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.2 t -56.78 -64.96 0.7 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.41 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 3.2 mp0 -94.55 105.45 18.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.722 0.773 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 39' ' ' GLN . 54.1 Cg_endo -69.82 3.45 2.79 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.617 2.212 . . . . 0.0 112.35 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -114.95 -19.86 5.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.483 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.23 174.63 5.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.364 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.54 ' CZ ' ' OH ' ' A' ' 74' ' ' TYR . 5.8 m-85 -130.07 -178.05 4.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.3 t -148.26 149.16 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 tp -127.07 116.87 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 m -106.63 148.19 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.456 ' CG1' HG13 ' A' ' 105' ' ' VAL . 98.9 t -148.46 134.6 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.4 tp -89.97 97.29 11.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.1 p -59.34 157.81 10.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -80.74 0.96 32.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -90.38 111.48 47.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.711 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 151.19 68.47 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.73 2.287 . . . . 0.0 112.261 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -62.51 -56.24 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -134.65 90.55 2.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.36 -165.71 2.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.428 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 133.64 26.0 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.621 2.214 . . . . 0.0 112.343 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.21 -43.77 1.62 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 p -64.78 153.34 88.21 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.607 0.718 . . . . 0.0 110.832 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 120.85 7.57 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.9 mt -41.61 148.16 0.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -70.26 150.28 46.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.425 HG11 ' CE1' ' A' ' 64' ' ' HIS . 20.1 t -115.56 126.58 73.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.096 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.6 m -100.83 106.46 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.425 ' CE1' HG11 ' A' ' 62' ' ' VAL . 37.3 m-70 -95.54 113.39 25.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.5 mt -118.68 125.03 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.155 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -73.56 133.02 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.3 t -101.57 101.02 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.6 mtm -65.43 161.42 19.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 40.3 t -129.34 120.93 26.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -119.13 102.45 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.11 56.66 13.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.77 -34.42 2.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -76.21 166.48 23.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.54 ' OH ' ' CZ ' ' A' ' 43' ' ' PHE . 24.9 m-85 -126.09 150.59 48.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.955 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.3 t -156.86 163.84 38.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.186 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.3 m -126.87 87.23 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.071 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.92 -58.68 2.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.05 167.89 11.0 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.0 mt -77.3 -23.48 51.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.721 0.296 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -46.5 170.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 79.3 p -155.21 157.4 37.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.488 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 60.1 m-85 -135.81 155.67 49.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.53 -46.49 77.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.8 p -169.22 178.22 4.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.526 HD22 ' CE2' ' A' ' 74' ' ' TYR . 3.5 mm? -44.46 -27.96 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.402 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 54.3 m -71.62 -49.97 35.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -69.47 -38.42 77.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.488 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.3 tt -68.62 -61.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 85' ' ' LEU . 99.5 t -53.23 -58.19 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 86' ' ' THR . 49.7 mm-40 -44.24 -57.73 3.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -55.88 -21.91 22.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.455 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.2 m-85 -93.81 -15.96 24.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.484 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 37.7 mtmt -75.75 -16.16 60.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.8 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -106.26 -37.02 6.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.7 p -90.0 -68.08 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 113.76 150.16 10.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.455 HG13 ' CD1' ' A' ' 92' ' ' PHE . 24.9 mt -94.9 140.86 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.076 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.495 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 31.2 tt0 -109.04 117.81 35.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -85.92 142.67 28.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' SER . . . -38.82 -62.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' ALA . 91.9 p -35.77 -37.68 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.89 21.17 2.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.41 156.99 16.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 111.051 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.495 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.4 m-85 -126.34 106.93 9.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.456 HG13 ' CG1' ' A' ' 47' ' ' VAL . 75.5 t -76.77 134.54 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.141 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.447 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 22.4 m-85 -118.49 133.86 55.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.548 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.8 mp -112.93 94.12 4.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.834 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.452 ' HD2' ' CD1' ' A' ' 29' ' ' TRP . 12.9 mtp-105 -91.23 -46.91 7.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.7 pm0 -140.44 141.53 26.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.486 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.0 Cg_endo -69.83 -163.77 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.309 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.524 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 89.7 t80 -135.5 112.76 10.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.486 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 6.8 m-85 -101.77 105.85 16.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.4 t -48.88 -58.51 4.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 141.81 145.82 4.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.74 89.54 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.7 2.266 . . . . 0.0 112.315 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -143.15 140.74 30.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.0 m -113.0 59.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.496 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ptp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.779 0.323 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -129.8 122.12 28.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' B' ' 4' ' ' GLN . 13.0 p30 -109.21 -52.33 2.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.445 ' N ' ' OD1' ' B' ' 3' ' ' ASN . 0.0 OUTLIER -39.07 -45.12 1.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.34 178.1 45.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.53 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . 0.403 HG21 ' CG ' ' A' ' 64' ' ' HIS . 3.5 m -105.37 140.09 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 111.154 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 13.1 mm -65.99 156.77 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -75.55 107.77 7.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.15 178.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.411 ' N ' ' CD1' ' B' ' 11' ' ' LEU . 0.5 OUTLIER -107.63 -174.89 2.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.517 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 1.2 p30 -86.34 -54.17 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.636 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -40.29 -51.67 6.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.92 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.5 Cg_endo -69.78 154.75 67.3 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.722 2.281 . . . . 0.0 112.377 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.157 0 C-N-CA 122.717 2.278 . . . . 0.0 112.339 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -80.86 133.15 35.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 m -89.15 134.37 34.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.804 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.99 -83.03 1.2 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 m -70.85 126.58 29.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.923 0.392 . . . . 0.0 110.835 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.2 m -90.65 89.75 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.799 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.52 -141.72 12.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.433 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.561 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -120.3 25.78 9.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.968 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -97.28 116.28 29.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -114.1 74.09 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.39 166.41 34.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 62.56 33.2 16.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.7 0.286 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.449 ' HG2' ' N ' ' A' ' 14' ' ' SER . 37.4 ttm -118.56 155.77 30.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.449 ' N ' ' HG2' ' A' ' 13' ' ' MET . 58.8 m -108.79 158.73 17.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.72 -70.38 0.93 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.21 -24.99 1.69 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 18' ' ' ALA . 20.4 tp60 -68.39 -62.55 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 110.942 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -36.53 -46.63 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.473 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 25.9 mt-10 -50.31 -46.96 55.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 63.1 m -63.05 -60.95 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.223 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.416 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 4.5 mp -48.86 -45.37 40.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.469 ' HG ' ' CD2' ' A' ' 32' ' ' LEU . 19.7 mt -66.01 -61.8 1.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.433 ' CG ' ' HB2' ' A' ' 59' ' ' PRO . 75.3 mt-30 -48.51 -57.96 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.0 -41.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.06 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -60.49 -41.77 94.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.11 8.97 66.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -91.08 120.29 68.62 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.707 0.765 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 142.02 46.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.565 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.5 m95 70.97 30.6 2.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.429 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 94.6 m -93.55 100.89 13.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.501 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 25.5 p90 -93.01 157.14 16.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.469 ' CD2' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -161.06 135.32 7.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.561 HG21 ' CE3' ' A' ' 8' ' ' TRP . 42.7 t -93.0 150.35 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' N ' HG13 ' A' ' 33' ' ' VAL . 50.2 ptt85 -162.31 142.69 10.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -58.98 161.27 5.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 p -110.19 83.97 1.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 38' ' ' SER . 11.7 mt -38.93 -64.45 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 37' ' ' LEU . 2.1 m -36.2 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -87.88 109.03 24.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.601 0.715 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 112.71 3.15 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.382 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.545 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 122.19 -48.78 0.93 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.423 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.525 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 53.8 m-20 -67.54 -179.71 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 1.3 m-85 -139.45 172.73 12.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.8 t -138.95 147.72 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.7 tp -122.12 121.55 37.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.0 m -112.45 146.0 39.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.44 HG23 ' CB ' ' A' ' 31' ' ' PHE . 87.2 t -148.97 133.88 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 tp -90.07 97.39 11.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.8 p -60.32 155.83 17.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 4.3 t70 -76.62 1.13 17.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -89.28 116.06 65.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.585 0.707 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 142.89 49.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.254 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -49.54 -50.23 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.85 -50.88 2.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.57 -146.97 6.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 91.4 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.689 2.259 . . . . 0.0 112.393 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 144.58 -32.25 1.74 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.535 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 p -77.03 153.18 82.64 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.653 0.739 . . . . 0.0 110.913 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.433 ' HB2' ' CG ' ' A' ' 23' ' ' GLN . 54.4 Cg_endo -69.7 118.55 5.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 59' ' ' PRO . 24.7 mt -34.67 151.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.83 145.52 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.7 t -111.32 125.4 68.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.012 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.3 m -103.7 119.01 38.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.473 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 40.8 m-70 -105.62 114.61 28.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.5 mt -115.85 118.7 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.507 ' HG3' ' CD2' ' B' ' 8' ' ' PTR . 34.2 mtmm -63.64 144.21 57.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.2 t -116.58 107.62 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.049 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 36.2 mtm -74.98 153.54 38.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 27.3 t -137.87 122.34 18.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.459 ' HG3' ' CG ' ' A' ' 73' ' ' ARG . 2.4 pt-20 -115.65 99.75 7.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.45 -50.53 2.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -168.92 -29.68 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.445 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.459 ' CG ' ' HG3' ' A' ' 70' ' ' GLU . 14.1 ptt180 -81.79 149.59 28.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.461 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 29.4 m-85 -106.8 151.26 25.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.1 t -159.91 153.0 21.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.6 m -118.06 85.97 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.89 -63.66 2.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.472 ' N ' HD12 ' B' ' 13' ' ' LEU . . . -56.15 149.25 27.17 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.428 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.8 mt -62.78 -14.41 44.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 81' ' ' THR . 7.9 mt-10 -52.46 -175.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.5 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 47.1 p -162.33 174.01 13.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.226 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.547 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 59.3 m-85 -157.54 134.19 9.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 82' ' ' PHE . 6.2 m-20 -36.21 -52.19 0.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.421 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 1.9 m -164.01 -176.22 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 3.3 mm? -47.86 -34.79 9.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.2 m -63.44 -58.25 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.84 -38.6 86.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.547 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -66.36 -61.64 1.9 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.441 ' N ' HD23 ' A' ' 88' ' ' LEU . 78.5 t -54.86 -55.95 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -45.24 -54.85 6.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -59.23 -22.32 60.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.439 ' CD1' HG13 ' A' ' 97' ' ' ILE . 2.3 m-85 -93.75 -11.17 32.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -80.33 -16.46 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 pttm -106.63 -38.67 6.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.8 p -88.76 -67.05 0.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.43 154.23 12.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.439 HG13 ' CD1' ' A' ' 92' ' ' PHE . 35.0 mt -98.7 132.98 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 111.093 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.539 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 38.9 tt0 -103.98 110.16 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -77.98 142.05 38.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -41.37 -58.61 1.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.072 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 m -38.77 -42.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 127.43 28.24 0.92 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -104.68 152.28 22.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.756 0.312 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.9 m-85 -125.71 104.49 8.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.431 HG13 ' CG1' ' A' ' 47' ' ' VAL . 92.4 t -75.76 133.87 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.565 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 19.7 m-85 -120.22 133.84 55.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.501 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.7 mp -112.46 96.41 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.434 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 30.9 mtp85 -90.55 -42.94 10.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 -146.98 142.42 17.03 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.578 0.704 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -164.14 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.639 2.226 . . . . 0.0 112.312 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.429 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 87.9 t80 -140.06 139.83 35.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.991 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -125.72 169.91 12.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.9 t -139.67 137.85 35.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 171.02 -177.03 44.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 126.09 12.88 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 t -139.35 146.68 40.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 81.0 p -149.48 118.94 6.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.179 -0.79 . . . . 0.0 112.538 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.6 tpp . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.734 0.302 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -154.27 175.55 13.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -157.69 140.67 15.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -92.66 90.3 7.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.63 -135.61 12.99 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . 0.402 HG13 ' CD ' ' A' ' 19' ' ' GLU . 24.5 m -141.07 135.85 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 0.0 111.099 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.5 mm -61.62 148.89 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.507 ' CD2' ' HG3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.9 m -64.67 110.89 2.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.22 170.27 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.464 ' N ' HD12 ' B' ' 11' ' ' LEU . 1.8 mp -96.6 179.89 4.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.418 ' ND2' ' CD2' ' B' ' 13' ' ' LEU . 0.2 OUTLIER -92.15 -29.72 16.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.608 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.2 OUTLIER -41.92 -53.35 8.22 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.657 0.741 . . . . 0.0 110.927 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.608 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.6 Cg_endo -69.73 169.81 18.01 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.708 2.272 . . . . 0.0 112.386 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 C-N-CA 122.714 2.276 . . . . 0.0 112.418 179.913 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -57.52 174.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 p -55.52 139.65 43.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.82 127.5 2.33 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -114.04 144.35 43.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.392 . . . . 0.0 110.828 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.409 ' HG ' ' N ' ' A' ' 7' ' ' GLY . 43.4 t -106.41 153.62 21.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.936 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' N ' ' HG ' ' A' ' 6' ' ' SER . . . -96.79 -148.23 23.84 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.551 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.566 ' CE3' HG23 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -111.14 21.69 16.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.801 0.334 . . . . 0.0 110.949 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.408 ' OH ' ' CG ' ' A' ' 35' ' ' GLU . 6.1 t80 -99.31 113.87 26.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -94.43 -59.18 2.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.827 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.08 -100.98 1.13 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.428 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -69.3 101.13 1.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.757 0.313 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 39.0 ttm -165.92 158.37 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.0 p -125.72 179.77 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.38 -60.56 6.94 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.6 -42.39 27.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.448 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 4.8 tp60 -60.64 -62.42 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.712 0.291 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -38.3 -43.99 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.464 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 13.1 mt-10 -57.22 -45.89 83.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.4 m -63.7 -46.52 85.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.448 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 5.3 mp -63.18 -42.67 99.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 68.3 mt -71.64 -62.72 1.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.416 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 90.1 mt-30 -47.65 -45.34 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.991 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.3 90.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -54.33 -44.33 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.74 24.47 76.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.88 121.1 42.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 110.929 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 142.0 47.17 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.6 m95 68.54 33.29 4.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -95.31 99.73 11.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.47 ' CB ' HG22 ' A' ' 47' ' ' VAL . 20.5 p90 -93.48 160.8 14.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.813 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.408 HD13 ' NH2' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -164.92 135.58 3.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.566 HG23 ' CE3' ' A' ' 8' ' ' TRP . 2.5 t -104.55 151.7 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.533 HH22 ' N ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -152.74 -177.63 6.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' CG ' ' OH ' ' A' ' 9' ' ' TYR . 35.3 mt-10 -107.81 131.28 54.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 m -58.67 -178.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.3 mt -124.8 113.76 18.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 t 59.04 47.19 12.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -127.33 137.96 31.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.614 0.721 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.6 Cg_endo -69.86 106.23 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.697 2.265 . . . . 0.0 112.26 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 36.1 65.48 0.49 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -142.82 126.12 16.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.965 0.412 . . . . 0.0 110.814 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 2.2 m-85 -108.42 178.58 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.424 HG21 ' C ' ' A' ' 43' ' ' PHE . 91.5 t -146.28 148.79 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.4 tp -125.16 139.81 53.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.533 ' N ' HH22 ' A' ' 34' ' ' ARG . 68.3 m -126.32 149.23 49.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.47 HG22 ' CB ' ' A' ' 31' ' ' PHE . 66.1 t -150.37 140.4 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' HG ' ' CB ' ' A' ' 60' ' ' LEU . 17.5 tp -99.63 98.06 8.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.6 p -59.71 159.03 9.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.437 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 3.7 t70 -81.39 2.41 28.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -92.57 108.87 34.71 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 148.51 65.8 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.402 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -52.88 -57.91 8.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.7 -74.87 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -143.39 -154.39 6.12 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 83.44 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.6 2.2 . . . . 0.0 112.351 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.36 -32.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.4 p -71.33 154.4 93.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.683 0.754 . . . . 0.0 110.877 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.416 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 54.1 Cg_endo -69.73 114.54 3.73 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.469 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 62.6 mt -36.71 149.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -70.38 145.81 50.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.485 HG11 ' CE1' ' A' ' 64' ' ' HIS . 65.4 t -114.48 132.33 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.7 m -108.42 107.28 17.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.485 ' CE1' HG11 ' A' ' 62' ' ' VAL . 73.1 m-70 -93.42 114.91 27.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.3 mt -114.7 116.24 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -71.62 110.42 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.0 t -80.82 121.23 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 42.1 mtm -89.1 165.8 14.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.6 t -127.97 128.24 44.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.804 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -119.25 80.43 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.33 53.1 48.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 99.72 -50.09 1.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -68.41 177.29 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.886 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 28.6 m-85 -136.57 146.08 45.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 t -146.17 153.89 41.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.161 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.488 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 33.2 m -121.63 86.15 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.39 -49.67 2.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.551 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.06 163.66 50.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.2 mt -76.68 -19.81 57.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.433 ' O ' ' CG2' ' A' ' 81' ' ' THR . 5.9 mm-40 -53.2 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.433 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 34.2 p -158.51 165.26 34.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.546 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 63.9 m-85 -144.17 137.5 27.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 82' ' ' PHE . 11.2 m-20 -37.91 -53.49 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.545 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 2.3 m -161.11 -176.33 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.498 HD21 ' CE2' ' A' ' 74' ' ' TYR . 4.3 mm? -47.99 -36.68 13.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.9 m -61.6 -61.64 2.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -55.84 -40.14 72.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.546 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -65.77 -65.41 0.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 72.3 t -51.31 -59.57 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -44.09 -59.29 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -53.28 -21.88 6.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.462 ' CZ ' HG21 ' A' ' 76' ' ' VAL . 2.7 m-85 -93.73 -26.31 17.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.407 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 30.5 mtmt -67.24 -15.51 63.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.92 -45.86 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.2 p -77.66 -54.49 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.88 156.19 19.16 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.505 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.461 ' CG2' HD21 ' B' ' 11' ' ' LEU . 61.3 mt -108.32 133.76 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 111.09 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 33.9 tt0 -105.76 138.25 42.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -92.25 145.82 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -40.08 -58.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.059 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 m -54.07 -66.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 178.99 -35.9 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.62 151.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.348 . . . . 0.0 111.086 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 9.7 m-85 -127.64 124.57 38.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.463 HG13 ' CG1' ' A' ' 47' ' ' VAL . 94.9 t -92.6 134.19 31.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.567 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 23.6 m-85 -120.51 126.13 49.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 mp -102.62 78.12 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.47 ' HG3' ' CD1' ' A' ' 29' ' ' TRP . 1.8 mmp_? -75.24 -57.21 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -134.01 141.67 40.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.56 0.695 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 53.6 Cg_endo -69.83 -164.61 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.392 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -138.34 110.69 7.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.428 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.9 m-85 -95.69 129.37 42.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.6 p -82.88 -16.59 46.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.41 127.85 4.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 143.28 50.03 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.5 p -111.66 -60.2 1.88 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.797 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 p -66.88 117.04 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.455 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.9 tmm? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.703 0.287 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -71.17 87.67 0.8 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -90.3 95.55 10.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' B' ' 5' ' ' GLY . 5.5 tp-100 -51.65 154.76 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' B' ' 4' ' ' GLN . . . -130.27 88.47 0.3 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 16.6 m -90.21 138.18 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.098 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 mm -69.93 142.64 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 53.7 m -50.17 173.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.91 -175.06 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.461 HD21 ' CG2' ' A' ' 97' ' ' ILE . 87.8 mt -115.43 -179.06 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.48 -44.9 18.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.629 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -45.76 -51.66 28.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.598 0.713 . . . . 0.0 110.936 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.629 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.6 Cg_endo -69.71 131.95 22.39 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.725 2.283 . . . . 0.0 112.316 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.306 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t 54.63 41.57 31.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.821 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -109.84 160.01 16.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.25 62.93 5.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -66.19 152.14 45.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.1 m -140.99 130.13 23.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.865 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.05 -105.84 0.65 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.557 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.566 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -106.82 21.41 17.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.835 0.35 . . . . 0.0 110.92 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -98.14 110.83 23.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -86.46 -62.35 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.68 -128.07 7.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 6.0 p80 -54.49 107.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.686 0.279 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.9 ttp -168.55 134.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 m -89.28 175.64 7.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 17' ' ' GLN . . . -65.94 -67.9 1.85 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.4 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.95 -28.11 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 18' ' ' ALA . 6.2 tp60 -72.17 -63.88 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -36.16 -46.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.426 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 23.7 mt-10 -52.58 -47.26 66.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 65.7 m -63.09 -58.59 6.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 mp -50.3 -40.94 49.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.5 mt -74.52 -68.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -41.85 -42.94 2.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.45 -44.13 76.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -55.24 -45.04 76.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.23 13.72 82.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.0 122.05 53.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.662 0.744 . . . . 0.0 110.837 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 54.0 Cg_endo -69.79 141.63 45.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.378 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.563 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 7.9 m95 69.24 36.87 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 81.7 m -97.13 103.16 15.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.497 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 23.7 p90 -94.27 156.83 16.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.416 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 1.1 pp -160.1 139.85 11.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.566 HG21 ' CE3' ' A' ' 8' ' ' TRP . 24.9 t -101.2 143.28 14.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.105 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.465 ' CZ ' HG11 ' A' ' 44' ' ' VAL . 25.2 ptt85 -157.74 146.19 19.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.798 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -61.51 172.82 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -102.61 -174.83 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.7 mt -122.4 -62.93 1.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.6 t -75.25 -70.45 0.42 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -59.88 115.07 11.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 125.63 12.32 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.94 -51.6 4.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.469 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -43.82 139.83 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 5.5 m-85 -107.7 171.94 7.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.465 HG11 ' CZ ' ' A' ' 34' ' ' ARG . 86.4 t -133.86 135.21 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.424 ' N ' HG12 ' A' ' 44' ' ' VAL . 45.4 tp -115.38 108.85 17.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -103.61 139.22 39.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.453 ' CG1' HG12 ' A' ' 105' ' ' VAL . 96.0 t -141.19 144.11 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CD1' HG21 ' A' ' 62' ' ' VAL . 17.9 tp -99.1 97.63 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.2 p -61.8 150.82 35.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.765 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.563 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 4.6 t70 -72.64 1.0 9.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.762 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -90.46 113.25 56.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.521 0.677 . . . . 0.0 110.974 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 149.92 67.27 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -52.98 -51.32 61.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.86 -69.71 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.22 -152.54 5.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 79.85 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.634 2.223 . . . . 0.0 112.345 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.74 -28.15 0.28 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.441 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 p -78.18 153.4 79.64 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.743 0.782 . . . . 0.0 110.818 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.3 Cg_endo -69.75 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.262 . . . . 0.0 112.37 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' PRO . 26.1 mt -37.05 149.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -72.03 144.66 48.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.457 HG21 ' CD1' ' A' ' 48' ' ' LEU . 5.7 t -114.98 124.45 71.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.2 m -96.59 117.43 30.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.426 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 91.6 m-70 -99.38 105.16 17.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.8 mt -107.16 139.52 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -98.33 104.48 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.803 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.5 t -77.76 124.68 36.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 50.6 mtm -86.0 169.44 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.0 t -139.66 124.88 18.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -122.27 92.99 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.72 52.58 41.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.31 -41.45 2.58 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -70.44 159.98 33.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.514 ' CE2' HD22 ' A' ' 85' ' ' LEU . 25.5 m-85 -128.15 144.46 51.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.991 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 t -150.94 154.35 36.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.7 m -118.72 85.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.01 -65.92 3.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.465 ' CA ' HD13 ' B' ' 13' ' ' LEU . . . -57.02 174.12 1.8 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.45 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 80' ' ' GLU . 32.1 mt -81.77 -19.82 40.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.688 0.28 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.411 ' C ' HG23 ' A' ' 81' ' ' THR . 11.8 mt-10 -45.66 172.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.411 HG23 ' C ' ' A' ' 80' ' ' GLU . 56.9 p -157.02 160.9 39.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 25.5 m-85 -144.22 147.27 33.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.3 -50.96 11.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -163.76 -178.68 5.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.514 HD22 ' CE2' ' A' ' 74' ' ' TYR . 2.1 mm? -47.82 -36.06 11.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.3 m -63.13 -53.61 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.85 -38.33 90.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.56 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -68.18 -63.11 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.418 ' N ' HD23 ' A' ' 88' ' ' LEU . 62.3 t -50.46 -56.71 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.156 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -44.19 -60.47 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -54.07 -20.85 7.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -93.4 -20.11 20.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.443 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 32.0 mtmt -74.08 -15.24 61.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -106.59 -37.01 6.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 59.8 p -91.78 -61.4 1.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 113.82 172.0 17.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 56.8 mt -121.05 136.08 59.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.743 0.306 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.507 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 8.3 tt0 -105.41 140.73 38.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -106.66 151.46 25.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.93 -58.99 4.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -42.26 -49.21 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.76 30.61 0.25 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.98 152.81 23.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.836 0.35 . . . . 0.0 111.037 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.507 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.8 m-85 -124.99 108.85 12.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.453 HG12 ' CG1' ' A' ' 47' ' ' VAL . 95.5 t -81.58 133.06 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.557 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.1 m-85 -119.11 129.49 55.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.2 mp -108.36 80.16 1.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -82.88 -48.46 10.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 8.1 pm0 -132.19 139.54 35.24 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -163.88 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.462 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 81.1 t80 -140.59 109.2 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -102.42 126.88 49.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 114' ' ' GLY . 1.3 p -57.92 -55.24 37.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.855 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 113' ' ' SER . . . 37.44 71.11 0.22 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -12.67 33.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.72 2.28 . . . . 0.0 112.374 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 88.9 p -112.64 143.32 44.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.8 t -133.46 132.0 40.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.447 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ppp? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -55.22 94.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -102.89 44.76 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -89.9 25.84 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.88 114.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 31.2 m -59.59 141.85 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 111.174 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.7 mm -71.09 142.05 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 58.7 m -49.53 163.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.98 -175.12 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 80.9 mt -114.26 170.86 7.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.555 ' C ' ' ND2' ' B' ' 12' ' ' ASN . 0.0 OUTLIER -84.67 -27.79 26.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.643 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.3 OUTLIER -43.17 -51.05 14.26 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.648 0.737 . . . . 0.0 110.927 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.4 Cg_endo -69.79 110.33 2.53 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.74 2.293 . . . . 0.0 112.322 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' B' ' 14' ' ' PRO . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.223 0 C-N-CA 122.635 2.224 . . . . 0.0 112.343 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -142.84 129.75 20.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.91 0.386 . . . . 0.0 110.875 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.0 p -138.32 121.76 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.23 148.69 6.12 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 t -75.11 101.88 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 m -86.28 46.2 1.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.38 -142.42 2.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.434 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.55 ' CE3' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -117.73 21.27 13.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.75 0.309 . . . . 0.0 110.9 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -95.41 107.06 19.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.441 ' CG ' ' HE2' ' A' ' 13' ' ' MET . 58.7 m-70 -80.99 -62.22 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.832 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.01 -80.94 0.28 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.552 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -88.04 96.11 10.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.747 0.308 . . . . 0.0 110.808 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.441 ' HE2' ' CG ' ' A' ' 10' ' ' HIS . 41.2 ttm -155.7 127.44 7.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 t -97.91 157.4 16.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -41.4 -63.92 1.48 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.54 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.3 -33.08 52.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.416 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 14.7 tt0 -65.74 -65.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.934 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -37.5 -52.32 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -47.0 -49.58 20.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.9 m -58.31 -63.32 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' A' ' 17' ' ' GLN . 4.6 mp -46.26 -51.4 14.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.433 HD12 ' CG1' ' A' ' 62' ' ' VAL . 22.6 mt -60.21 -68.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.403 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 94.1 mt-30 -41.72 -44.28 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.41 -40.6 68.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' CG ' ' HB2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -57.64 -45.35 85.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.74 3.98 74.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.432 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' HB2' ' CG ' ' A' ' 25' ' ' LYS . 2.9 mm-40 -92.72 122.46 64.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.665 0.745 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 141.98 46.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.648 2.232 . . . . 0.0 112.297 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.491 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 8.3 m95 72.61 26.49 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.421 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 68.3 m -87.18 98.43 11.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 27.7 p90 -88.1 168.92 12.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -173.73 138.35 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.55 HG22 ' CE3' ' A' ' 8' ' ' TRP . 16.0 t -95.91 151.57 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -167.21 113.41 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -59.65 139.18 57.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -63.45 163.01 11.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.8 mt -92.4 -54.65 3.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.4 m -89.73 -67.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -37.36 98.91 0.17 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.635 0.731 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 124.0 10.62 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.69 2.26 . . . . 0.0 112.287 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.66 41.08 44.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.468 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -144.07 153.06 41.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.807 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.419 ' C ' HG23 ' A' ' 44' ' ' VAL . 49.4 m-85 -126.49 174.28 8.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.419 HG23 ' C ' ' A' ' 43' ' ' PHE . 97.5 t -143.16 126.74 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.6 tp -104.6 104.6 14.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 m -91.88 140.97 29.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.419 HG23 ' CB ' ' A' ' 31' ' ' PHE . 78.4 t -145.53 132.03 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.101 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.4 ' HG ' ' CB ' ' A' ' 60' ' ' LEU . 19.0 tp -89.99 96.49 10.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.0 p -60.73 152.3 27.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.457 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -71.97 -1.37 14.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -85.68 117.14 68.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.517 0.675 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.28 66.4 Favored 'Trans proline' 0 C--O 1.23 0.125 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 1.8 mtpm? -70.5 -44.17 68.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.417 ' H ' ' CB ' ' A' ' 58' ' ' SER . . . -125.89 -45.39 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.502 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . 135.32 -57.96 0.68 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 53.5 Cg_endo -69.76 82.17 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.354 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 58.84 32.24 69.74 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.417 ' CB ' ' H ' ' A' ' 54' ' ' ALA . 78.4 p -81.4 148.95 64.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.702 0.763 . . . . 0.0 110.856 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 60' ' ' LEU . 53.9 Cg_endo -69.78 113.31 3.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.78 2.32 . . . . 0.0 112.309 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' PRO . 25.6 mt -36.77 144.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.69 147.02 53.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.433 ' CG1' HD12 ' A' ' 22' ' ' LEU . 5.7 t -114.72 125.2 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 98.8 m -99.37 128.17 45.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.493 ' CD2' ' CG2' ' B' ' 6' ' ' VAL . 86.4 m-70 -113.12 111.1 21.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.9 mt -114.5 131.93 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.456 ' HG3' ' CE2' ' B' ' 8' ' ' PTR . 15.7 mttm -82.08 109.16 16.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.8 t -86.09 109.27 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 75' ' ' THR . 35.3 mtm -62.78 146.57 52.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.1 t -121.72 100.99 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 71' ' ' GLY . 11.4 mt-10 -80.15 -174.45 4.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLU . . . -32.76 -60.3 0.41 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -140.07 0.76 2.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.403 ' CB ' ' HB ' ' A' ' 81' ' ' THR . 0.8 OUTLIER -114.85 175.27 5.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.828 0.346 . . . . 0.0 110.916 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.592 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 67.1 m-85 -126.22 157.3 38.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.032 0.444 . . . . 0.0 110.869 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 68' ' ' MET . 4.5 t -159.24 162.61 36.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.1 m -129.17 102.86 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 45.28 25.6 1.23 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -134.95 168.9 23.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.3 mt -84.09 -23.76 30.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -62.38 171.45 1.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.403 ' HB ' ' CB ' ' A' ' 73' ' ' ARG . 71.1 p -149.84 167.97 25.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.538 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 35.0 m-85 -143.24 144.63 32.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -41.65 -53.17 3.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.4 m -159.36 178.52 9.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.592 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 3.7 mm? -47.06 -34.24 5.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.7 m -64.6 -56.04 16.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -59.75 -37.49 79.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.538 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.8 tt -69.28 -64.68 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.2 t -50.65 -55.74 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -45.51 -56.21 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -57.52 -20.35 30.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.407 ' CD1' HG13 ' A' ' 97' ' ' ILE . 2.3 m-85 -93.84 -22.23 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -69.15 -17.27 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.001 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -105.86 -38.55 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 45.3 p -92.63 -58.48 2.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.83 165.6 25.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.557 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.407 HG13 ' CD1' ' A' ' 92' ' ' PHE . 21.4 mt -105.93 131.31 55.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.79 0.328 . . . . 0.0 111.159 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.623 ' CD ' ' CE2' ' A' ' 104' ' ' PHE . 5.5 tp10 -99.11 129.29 45.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 100' ' ' ALA . 40.3 mt-10 -94.13 128.96 40.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' GLU . . . -34.4 -50.31 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.3 m -45.59 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.96 31.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -115.99 151.0 36.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.623 ' CE2' ' CD ' ' A' ' 98' ' ' GLU . 9.3 m-85 -122.87 111.57 16.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.3 t -84.53 133.94 28.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.085 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.491 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 23.1 m-85 -118.53 146.42 44.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.558 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.3 mp -125.2 95.17 4.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.447 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 28.1 mtm180 -88.51 -45.81 9.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -144.86 142.12 18.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.575 0.702 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 53.8 Cg_endo -69.66 -166.14 0.17 Allowed 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.724 2.282 . . . . 0.0 112.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.421 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 92.4 t80 -135.73 107.18 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -87.05 162.15 17.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 90.7 p -104.29 99.92 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 102.27 95.06 2.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 -5.28 15.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.634 2.223 . . . . 0.0 112.45 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.5 t -106.59 -57.18 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.2 t -80.16 94.01 5.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.473 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.779 0.323 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -128.04 111.48 13.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -51.0 136.13 23.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -62.1 174.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.18 117.34 3.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . 0.493 ' CG2' ' CD2' ' A' ' 64' ' ' HIS . 34.2 m -101.28 137.9 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.437 HG21 ' N ' ' B' ' 8' ' ' PTR . 19.4 mm -64.56 140.87 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.456 ' CE2' ' HG3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.1 m -71.48 105.12 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.788 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -53.56 -178.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.834 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.474 HD11 ' N ' ' B' ' 11' ' ' LEU . 0.7 OUTLIER -116.55 -173.78 2.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.983 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.52 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 2.8 p30 -79.26 -54.6 5.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.641 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -42.74 -51.68 11.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.653 0.74 . . . . 0.0 110.975 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.3 Cg_endo -69.87 154.94 66.76 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.244 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.465 -0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -134.48 -44.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 t -72.77 85.81 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.902 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.25 45.77 2.23 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -93.48 134.15 36.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 0.0 110.842 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -164.87 177.19 8.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.39 169.52 12.3 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.438 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.56 ' CE3' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -114.2 28.93 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -102.47 132.14 48.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -112.43 -58.32 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.29 -125.15 7.02 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -57.47 104.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.8 ttm -152.58 114.32 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.5 t -72.32 148.57 45.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.07 -58.67 5.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.15 -33.23 44.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.454 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' ALA . 7.5 tt0 -64.82 -65.38 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.792 0.33 . . . . 0.0 110.996 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -35.09 -48.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -51.89 -48.56 64.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' GLN . 71.6 m -59.05 -54.01 51.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.202 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.9 mp -55.86 -47.34 77.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 25' ' ' LYS . 37.1 mt -67.05 -67.03 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -42.74 -42.55 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.46 79.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -61.67 -34.9 76.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.42 35.63 91.31 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -121.4 121.58 28.43 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.586 0.708 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.66 48.65 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.467 ' CB ' ' HG3' ' A' ' 108' ' ' ARG . 6.6 m95 67.91 31.81 5.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 87.5 m -94.92 98.9 11.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.531 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 25.2 p90 -90.95 166.26 13.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 pp -167.65 132.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.56 HG22 ' CE3' ' A' ' 8' ' ' TRP . 43.5 t -93.08 130.86 41.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -143.3 147.63 35.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -71.02 153.76 42.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.8 m -83.26 163.99 20.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mp -108.68 -27.19 9.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 m -99.68 -69.31 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -64.49 116.11 25.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 124.0 10.68 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.648 2.232 . . . . 0.0 112.338 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.19 -45.23 3.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.414 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.81 144.13 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.569 ' CE1' ' CZ ' ' A' ' 74' ' ' TYR . 16.4 m-85 -106.25 171.55 7.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.7 t -137.89 142.87 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.6 tp -119.75 116.09 25.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.3 m -112.16 139.8 47.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.426 ' CG1' HG13 ' A' ' 105' ' ' VAL . 73.3 t -140.89 149.03 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.443 ' CD1' HG23 ' A' ' 62' ' ' VAL . 21.6 tp -104.15 96.68 6.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.6 p -55.31 159.25 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -84.33 2.4 40.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -92.47 110.36 44.38 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.651 0.738 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 148.32 64.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -53.26 -47.63 68.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.8 -46.81 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.047 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.34 -143.88 7.19 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 88.27 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.19 -29.71 1.64 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.486 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.4 p -76.51 154.33 83.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 110.909 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 116.28 4.49 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.329 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.1 mt -41.74 144.48 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -71.34 144.45 49.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.443 HG23 ' CD1' ' A' ' 48' ' ' LEU . 46.5 t -108.12 153.7 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 98.2 m -126.64 104.13 7.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 -90.71 112.39 24.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.9 mt -113.0 135.78 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -88.32 113.27 23.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.0 t -87.24 104.91 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 23.0 mtm -73.32 151.5 41.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -105.28 131.54 52.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -115.85 77.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 48.87 53.93 16.12 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.436 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.47 -41.8 2.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -82.93 -179.48 7.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.569 ' CZ ' ' CE1' ' A' ' 43' ' ' PHE . 27.0 m-85 -139.23 136.78 35.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.3 t -133.03 166.94 21.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.199 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.7 m -129.02 86.46 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.19 -54.6 2.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.17 179.41 14.56 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.2 mt -85.81 -26.93 25.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -46.36 172.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.4 p -150.67 165.96 31.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 52.5 m-85 -143.4 136.52 27.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -36.41 -52.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -163.88 -179.83 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.568 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.5 mm? -47.66 -29.85 3.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.1 m -66.02 -57.79 6.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.171 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.77 -38.22 87.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.542 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -67.37 -63.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.4 t -52.27 -58.14 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -46.68 -53.66 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -56.67 -21.5 28.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -93.77 -30.61 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -63.59 -17.0 62.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.959 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -106.68 -41.08 5.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 73.2 p -84.09 -56.25 3.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.55 160.53 17.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.417 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 65.5 mt -113.23 148.44 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 111.083 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -125.11 130.4 52.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -89.21 146.04 25.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -48.76 -45.52 39.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.9 m -52.78 -46.86 67.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.65 30.68 0.25 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.33 161.13 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.721 0.296 . . . . 0.0 111.177 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -128.66 105.61 8.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.426 HG13 ' CG1' ' A' ' 47' ' ' VAL . 70.3 t -83.96 134.04 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.458 ' HB2' ' CD2' ' A' ' 29' ' ' TRP . 18.9 m-85 -120.11 143.31 48.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.531 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 2.6 mp -119.05 94.28 4.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.467 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 25.2 mtm180 -89.36 -44.85 9.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -145.06 143.46 20.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.615 0.722 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.409 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.9 Cg_endo -69.71 -166.49 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.749 2.299 . . . . 0.0 112.313 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.452 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 69.9 t80 -142.46 115.96 9.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.409 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.4 m-85 -104.91 140.09 38.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.3 t -88.76 163.1 15.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 115' ' ' PRO . . . 80.46 98.54 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.52 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 114' ' ' GLY . 53.9 Cg_endo -69.71 -38.92 7.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.2 m 50.34 48.32 22.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 53.8 p -79.4 175.62 10.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.827 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.224 -0.765 . . . . 0.0 112.554 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.792 0.329 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -87.02 132.58 33.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -85.83 140.85 30.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -60.97 -62.16 2.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.41 137.95 6.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 32.7 m -107.78 145.2 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.42 HG23 ' N ' ' B' ' 8' ' ' PTR . 14.5 mm -69.22 144.07 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.42 ' N ' HG23 ' B' ' 7' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.3 m -48.95 166.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -131.8 -174.68 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.402 ' HB2' ' CD ' ' B' ' 14' ' ' PRO . 83.8 mt -114.16 -176.13 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.42 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 1.3 p30 -78.95 -46.87 17.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.844 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.615 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -48.85 -52.41 46.45 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.562 0.696 . . . . 0.0 110.872 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.7 Cg_endo -69.77 149.45 66.83 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.698 2.265 . . . . 0.0 112.312 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.383 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.3 m -117.35 157.81 25.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.816 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 m -129.13 122.4 29.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.26 54.06 0.19 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -39.95 118.69 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.939 0.399 . . . . 0.0 110.875 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t -104.98 126.71 52.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.32 -140.33 30.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.418 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.532 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -119.25 27.23 8.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.78 0.324 . . . . 0.0 110.908 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -103.58 126.32 50.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -109.73 -52.87 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.19 -99.68 2.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 32.5 p-80 -69.25 110.81 4.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.464 ' CE ' HD23 ' A' ' 21' ' ' LEU . 4.4 tpp -170.02 129.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 m -83.96 142.85 30.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 17' ' ' GLN . . . -39.46 -81.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.568 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . . . -36.29 -31.75 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.512 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 15' ' ' GLY . 19.9 tt0 -61.15 -65.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -34.95 -50.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -47.99 -49.76 29.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.5 m -57.89 -58.31 8.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.464 HD23 ' CE ' ' A' ' 13' ' ' MET . 4.3 mp -51.5 -50.39 60.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.4 ' CG ' HD21 ' A' ' 32' ' ' LEU . 32.0 mt -60.82 -64.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -46.53 -41.93 14.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.89 -33.82 69.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 tptt -66.27 -34.29 77.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.79 12.54 48.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -98.31 121.63 56.37 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.692 0.758 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.19 50.12 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.658 2.239 . . . . 0.0 112.371 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.474 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.8 m95 68.98 35.12 2.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.421 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 88.6 m -94.88 97.28 9.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.172 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 20.7 p90 -90.81 157.69 17.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.4 HD21 ' CG ' ' A' ' 22' ' ' LEU . 2.3 pp -161.9 136.34 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.532 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 6.5 t -98.39 147.39 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.0 ptt85 -160.4 147.86 16.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.75 133.99 54.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 t -74.78 144.98 43.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.813 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.6 mt -101.7 -44.27 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.7 m -53.07 -59.11 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -106.61 135.63 19.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.543 0.687 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 138.42 37.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.292 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.6 -55.16 4.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.54 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.81 157.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.531 ' CZ ' ' OH ' ' A' ' 74' ' ' TYR . 3.4 m-85 -120.49 169.13 10.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -134.55 140.42 45.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.8 tp -117.51 117.01 28.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -109.45 141.97 41.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.815 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.453 HG23 ' CB ' ' A' ' 31' ' ' PHE . 86.8 t -144.07 138.05 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.5 tp -94.25 96.18 9.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.7 p -55.21 160.24 2.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -83.24 1.15 42.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -91.88 114.75 63.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.699 . . . . 0.0 110.947 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 150.03 67.03 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.34 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -57.78 -41.01 81.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -127.52 -45.51 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.61 -146.58 8.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.408 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 91.8 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.44 -31.09 1.95 Allowed Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.9 p -76.71 153.84 83.35 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.631 0.729 . . . . 0.0 110.898 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.67 114.87 3.83 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' PRO . 29.5 mt -37.16 148.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -72.51 145.26 47.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.9 t -109.01 141.01 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.3 m -115.4 110.59 19.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -97.68 111.0 23.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.8 mt -114.07 138.07 45.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.503 ' HD2' ' CD2' ' B' ' 8' ' ' PTR . 0.0 OUTLIER -76.63 147.22 37.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.9 t -123.36 95.95 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 28.7 mtm -74.31 164.02 27.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 48.0 t -122.69 115.66 22.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -83.99 74.37 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 38.26 66.76 0.58 Allowed Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.509 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.72 -41.77 2.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -101.37 -179.71 4.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.571 ' CD2' HD22 ' A' ' 85' ' ' LEU . 26.6 m-85 -126.36 148.33 49.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.5 t -151.09 167.45 27.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.408 HG23 ' CD2' ' B' ' 11' ' ' LEU . 16.8 m -129.24 87.98 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.87 -61.52 2.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.31 -173.28 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.445 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.1 mt -94.19 -21.51 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.736 0.303 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -47.06 169.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.9 p -154.09 159.34 41.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.475 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 50.2 m-85 -141.14 146.63 37.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -44.95 -47.46 11.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.4 p -166.07 -177.1 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.571 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.1 mm? -50.22 -32.08 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.0 m -65.54 -56.75 10.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.54 -35.5 80.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.475 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 9.2 tt -67.06 -62.76 1.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 66.5 t -55.06 -55.86 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.091 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -43.07 -61.54 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -53.56 -23.34 10.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -93.65 -15.98 24.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -74.39 -20.6 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -106.27 -35.05 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.9 p -85.04 -65.55 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.54 147.93 10.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.7 mt -93.33 140.79 15.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.517 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 31.1 tt0 -113.4 116.22 29.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 102' ' ' GLY . 39.6 mt-10 -79.64 142.86 35.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -40.37 -58.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.7 p -47.2 -32.33 4.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 132.99 -35.98 2.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.458 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.33 153.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 9.6 m-85 -128.01 118.36 23.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.44 HG13 ' CG1' ' A' ' 47' ' ' VAL . 55.5 t -90.17 136.37 24.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.474 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 19.3 m-85 -121.49 139.41 53.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.563 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.5 mp -116.26 87.42 2.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.46 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 17.8 mtp180 -82.13 -51.46 7.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -139.84 142.82 32.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.582 0.706 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -164.37 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.418 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.421 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 86.5 t80 -137.25 111.3 8.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.94 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -95.62 143.76 26.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.4 t -88.23 -61.07 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.69 157.69 38.2 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.459 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 165.79 29.73 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.8 m -54.32 130.21 38.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.7 m -50.68 155.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.494 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mmt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.781 0.325 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -117.61 133.86 55.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -97.47 123.37 41.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -164.28 111.05 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.67 -121.03 4.18 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.398 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 5.1 m -144.63 149.04 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.821 0.343 . . . . 0.0 111.156 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 7.7 mm -72.37 158.99 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.503 ' CD2' ' HD2' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m -60.27 102.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.65 173.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.44 ' C ' ' HD2' ' B' ' 14' ' ' PRO . 6.4 mp -106.97 -174.05 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.469 ' ND2' HD13 ' B' ' 13' ' ' LEU . 2.3 p30 -84.56 -27.6 27.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.687 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.2 OUTLIER -60.87 -47.79 94.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.551 0.691 . . . . 0.0 110.937 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.687 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.4 Cg_endo -69.79 162.71 41.06 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 179.874 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -148.33 152.83 37.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.918 0.389 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 t -122.19 -56.34 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.815 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.08 152.09 21.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.436 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -115.75 151.47 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -100.39 157.18 16.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.39 -75.24 0.64 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.453 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.558 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -119.15 25.88 9.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.801 0.334 . . . . 0.0 110.952 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -107.16 122.45 46.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -102.07 -56.03 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.73 -115.45 4.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.434 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -57.07 107.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.777 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.8 tpp -164.27 139.5 5.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.9 m -99.06 145.49 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.47 -62.08 2.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.461 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.52 -25.24 6.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.467 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.451 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 18.3 tt0 -73.97 -64.59 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -36.25 -45.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -53.16 -46.28 68.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 17' ' ' GLN . 65.5 m -63.36 -56.31 17.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD1' ' HG2' ' A' ' 17' ' ' GLN . 4.8 mp -53.06 -49.59 66.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.467 ' CD2' HG21 ' A' ' 30' ' ' THR . 18.3 mt -63.68 -65.4 0.69 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -45.07 -47.7 11.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.99 -32.46 54.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -63.12 -45.54 91.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.54 16.98 80.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.462 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -106.75 120.04 49.53 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.714 0.769 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 143.46 51.11 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.483 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 7.6 m95 70.54 27.52 3.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.467 HG21 ' CD2' ' A' ' 22' ' ' LEU . 83.8 m -89.58 99.48 12.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 16.7 p90 -91.47 163.33 14.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.444 HD23 ' CG ' ' A' ' 22' ' ' LEU . 1.1 pp -170.91 137.66 1.25 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.558 HG21 ' CE3' ' A' ' 8' ' ' TRP . 6.4 t -98.54 144.46 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 35' ' ' GLU . 18.4 ptt85 -156.85 115.06 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' ARG . 1.9 tt0 -34.54 147.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -58.22 176.38 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 tp -117.77 -17.55 9.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.5 m -114.68 -71.31 0.75 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -65.68 112.08 7.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.495 0.664 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 4.2 2.36 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.68 2.253 . . . . 0.0 112.303 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.72 22.7 3.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.8 163.89 28.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.495 ' CZ ' ' OH ' ' A' ' 74' ' ' TYR . 14.6 m-85 -123.37 175.9 6.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.5 t -142.57 146.75 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 tp -123.98 130.54 52.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -120.23 144.08 47.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.457 ' CG1' ' CG1' ' A' ' 105' ' ' VAL . 70.1 t -147.43 132.31 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.3 tp -89.11 99.73 12.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.5 p -60.14 155.55 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.483 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.9 OUTLIER -79.42 1.4 25.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -98.46 121.55 56.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.565 0.698 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 149.58 66.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.653 2.236 . . . . 0.0 112.379 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -55.51 -56.16 23.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.73 -43.18 4.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.072 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 170.73 -147.59 10.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 88.01 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.674 2.249 . . . . 0.0 112.325 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 149.74 -30.99 1.12 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.8 p -80.84 154.5 73.13 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.675 0.75 . . . . 0.0 110.84 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 119.81 6.69 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.8 mt -37.94 143.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.29 148.82 50.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.53 HG13 ' CE1' ' A' ' 64' ' ' HIS . 61.6 t -115.98 111.25 34.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 98.1 m -79.33 107.31 12.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.53 ' CE1' HG13 ' A' ' 62' ' ' VAL . 65.3 m-70 -96.66 116.8 29.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.1 mt -122.42 122.5 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -74.71 118.91 18.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.6 t -89.61 127.74 42.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 50.8 mtm -93.67 169.76 10.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 20.1 t -135.42 124.95 25.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -111.37 99.34 8.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.799 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 46.68 53.29 10.17 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.397 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.29 -42.14 2.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -74.36 175.84 7.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.319 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.592 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 42.8 m-85 -128.93 150.01 50.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.5 t -155.71 154.3 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.6 m -120.07 86.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.93 21.28 7.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -124.53 154.41 17.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.99 -10.18 57.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.48 -179.93 7.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.1 p -156.27 171.3 20.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 53.7 m-85 -147.34 139.28 24.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -41.64 -54.17 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m -157.28 -177.37 6.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.818 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.592 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 4.2 mm? -50.91 -32.81 21.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.7 m -65.52 -53.56 40.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.08 -38.19 90.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.768 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.561 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.4 tt -68.25 -65.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.8 t -51.03 -55.23 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -46.05 -51.83 13.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -60.62 -22.01 63.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.495 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.8 m-85 -93.58 -17.1 23.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -74.3 -20.19 60.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 pttp -105.1 -39.04 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.8 p -87.07 -60.52 1.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.65 154.67 22.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.414 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.495 HG13 ' CD1' ' A' ' 92' ' ' PHE . 18.0 mt -96.33 145.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.456 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 24.4 tt0 -114.18 102.22 9.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.3 141.7 52.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -44.99 -57.02 4.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.5 m -39.95 -27.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.807 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . 111.06 32.54 2.58 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.473 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -111.21 154.08 24.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.379 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 10.1 m-85 -124.44 107.51 11.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.457 ' CG1' ' CG1' ' A' ' 47' ' ' VAL . 65.1 t -80.55 141.93 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -124.05 134.45 53.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.486 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.1 mp -111.57 97.46 6.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.438 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 29.6 mtp85 -91.23 -49.97 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -139.89 143.94 36.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.683 0.754 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.416 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.79 -164.1 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -136.09 124.4 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.416 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 7.3 m-85 -110.68 132.99 53.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.938 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 51.5 p -81.61 128.46 33.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -116.58 172.8 14.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -177.04 1.68 Allowed 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.771 2.314 . . . . 0.0 112.313 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.9 m -93.2 -46.55 7.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.5 t -94.08 -60.14 1.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.205 -0.775 . . . . 0.0 112.417 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 62.26 42.76 9.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.69 131.39 46.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -73.06 100.7 3.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -110.84 146.93 17.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.466 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 3.8 m -116.72 140.51 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.1 mm -71.04 143.05 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 12.5 p -48.4 157.07 0.36 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.97 176.98 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mp -111.56 -174.88 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.513 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 1.4 p30 -77.73 -54.42 6.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.641 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -42.96 -51.46 12.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.728 . . . . 0.0 110.934 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 54.3 Cg_endo -69.68 149.48 67.46 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.655 2.236 . . . . 0.0 112.423 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.464 -0.218 0 C-N-CA 122.728 2.285 . . . . 0.0 112.338 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -148.15 112.02 5.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -103.17 133.69 47.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.25 126.24 4.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -125.15 48.55 2.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 p -106.05 146.94 29.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.79 -147.18 8.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.521 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.555 ' CE3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -122.62 31.14 6.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.717 0.294 . . . . 0.0 110.921 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -104.06 122.25 44.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -120.95 98.78 6.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.56 151.36 32.47 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 68.33 48.46 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 110.834 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.3 ttp -145.18 118.26 8.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.3 p -82.41 -177.58 6.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.417 ' HA2' ' NH2' ' A' ' 34' ' ' ARG . . . -68.11 -57.21 8.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.499 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -41.29 -38.39 1.92 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.451 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 4.7 tp60 -72.46 -58.57 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.32 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.13 -43.33 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.436 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 11.3 mt-10 -53.44 -45.54 69.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.3 m -66.7 -60.04 3.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 5.1 mp -47.52 -35.58 9.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.2 mt -76.71 -59.41 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -50.13 -54.27 21.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.01 -42.39 13.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -59.82 -33.26 71.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.44 24.97 62.28 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -104.0 118.91 55.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.683 0.754 . . . . 0.0 110.823 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 141.55 45.44 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.268 . . . . 0.0 112.388 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.542 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 7.8 m95 68.31 32.83 4.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.407 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 99.0 m -94.31 103.21 15.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 21.5 p90 -93.43 161.24 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -166.56 140.14 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.555 HG23 ' CE3' ' A' ' 8' ' ' TRP . 13.8 t -101.15 152.76 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.448 ' N ' HG12 ' A' ' 33' ' ' VAL . 30.8 ptt85 -164.51 118.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -39.7 152.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.5 t -74.72 161.28 29.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.34 -55.07 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -89.87 -70.14 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -46.22 104.63 0.41 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 110.9 2.68 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.35 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.09 -36.71 4.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.14 173.07 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -136.35 172.16 13.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 45' ' ' LEU . 51.3 t -139.04 136.9 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.458 ' N ' HG12 ' A' ' 44' ' ' VAL . 14.7 tp -115.74 123.45 48.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.2 m -117.49 142.33 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.464 ' CG1' HG13 ' A' ' 105' ' ' VAL . 83.8 t -142.38 143.26 26.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.2 tp -97.17 95.91 8.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.2 p -57.52 148.13 24.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.542 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.5 OUTLIER -71.15 -5.15 29.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -84.28 113.59 49.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.65 0.738 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 148.11 64.29 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -55.66 -46.67 77.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.83 -66.2 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.92 -149.35 5.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 85.91 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.274 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.76 -31.32 1.01 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.6 p -71.13 154.56 93.92 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 115.77 4.25 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.766 2.31 . . . . 0.0 112.321 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.4 mt -38.2 147.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -71.43 151.29 44.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.5 t -111.55 145.28 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.6 m -121.53 105.74 10.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.436 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 52.8 m-70 -95.66 111.22 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.0 mt -116.76 121.96 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -67.61 133.22 49.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.2 t -107.23 93.98 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.13 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 33.4 mtm -57.07 168.82 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 31.7 t -141.16 114.63 8.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -106.8 80.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.13 59.54 9.88 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.38 -43.48 2.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.493 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.499 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 22.3 mtp180 -66.36 171.09 5.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' A' ' 73' ' ' ARG . 24.8 m-85 -142.18 142.86 32.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 t -151.75 165.16 35.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.7 m -124.71 86.37 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.62 -63.78 2.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.23 170.62 4.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.535 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.7 mt -77.17 -14.28 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -49.26 170.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 p -157.12 165.29 36.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.524 ' CD1' ' HA ' ' A' ' 88' ' ' LEU . 81.1 m-85 -146.7 145.7 30.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.42 -32.13 48.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.45 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 5.4 t -174.84 175.68 2.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -44.38 -32.98 1.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.9 m -64.58 -59.08 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.428 ' CB ' ' HB3' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -54.03 -39.96 66.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.524 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 9.9 tt -68.24 -59.7 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 92' ' ' PHE . 60.7 t -57.39 -63.58 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -42.19 -55.46 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -59.11 -25.43 63.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 89' ' ' VAL . 2.1 m-85 -93.45 -14.14 27.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.507 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 29.0 mtmt -74.28 -18.18 60.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -105.88 -44.18 4.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.964 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.3 p -82.92 -51.1 7.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.36 170.59 30.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 23.2 mt -115.97 136.31 53.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.778 0.323 . . . . 0.0 111.118 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.507 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 54.7 tt0 -104.06 132.66 50.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -99.94 165.78 11.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 101' ' ' SER . . . -68.22 -61.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.062 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' ALA . 1.2 t -35.17 -48.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.02 30.43 0.32 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -114.73 156.21 25.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.507 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 10.4 m-85 -124.99 113.89 18.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.918 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.464 HG13 ' CG1' ' A' ' 47' ' ' VAL . 54.6 t -82.75 131.66 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.511 ' HB2' ' CD2' ' A' ' 29' ' ' TRP . 22.3 m-85 -117.22 133.67 55.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.533 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.3 mp -112.72 74.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.459 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 7.1 mtt180 -75.95 -49.61 17.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -135.76 140.01 32.41 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.59 0.71 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -163.69 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.377 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.438 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 86.6 t80 -134.81 115.86 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -100.58 125.91 47.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.1 m -90.48 89.15 7.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 58.99 -178.91 1.67 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 171.19 14.85 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.614 2.209 . . . . 0.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.2 m -107.17 170.26 8.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 79.9 p -123.05 116.19 23.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.913 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 CA-C-O 119.079 -0.845 . . . . 0.0 112.403 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.4 mmm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.806 0.336 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.25 42.05 12.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -108.12 81.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -71.77 178.37 3.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.91 83.22 0.63 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.562 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 34.0 m -64.62 138.79 22.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 111.091 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 17.6 mm -66.23 145.51 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -89.04 119.14 29.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.58 -174.17 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.7 mt -121.96 173.38 7.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.456 ' ND2' ' N ' ' B' ' 13' ' ' LEU . 0.0 OUTLIER -89.19 -32.54 17.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.593 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.2 OUTLIER -34.39 -54.36 0.91 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.627 0.727 . . . . 0.0 110.905 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 54.4 Cg_endo -69.68 148.67 66.1 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.709 2.272 . . . . 0.0 112.379 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.696 2.264 . . . . 0.0 112.359 179.883 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 t -39.41 139.69 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 110.797 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -135.54 149.99 49.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.53 70.85 0.21 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 m 52.37 47.71 24.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 110.877 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -102.34 130.18 49.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.15 161.6 35.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.561 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -122.75 31.15 6.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 110.947 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -105.3 122.68 46.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -100.18 -53.86 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.796 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.52 -136.21 13.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.432 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 25.9 p-80 -55.4 110.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.416 ' CE ' HD23 ' A' ' 21' ' ' LEU . 16.5 tpp -161.86 126.94 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.799 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.0 p -81.18 -179.29 7.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.462 ' HA3' ' CG2' ' B' ' 6' ' ' VAL . . . -72.87 -60.5 3.88 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.09 -30.36 3.88 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -72.75 -64.58 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -39.38 -45.69 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.425 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 20.5 mt-10 -53.19 -46.72 69.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.4 m -61.45 -61.96 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.416 HD23 ' CE ' ' A' ' 13' ' ' MET . 5.0 mp -46.55 -50.56 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.5 mt -59.63 -69.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -41.64 -44.17 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.39 70.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' CG ' ' HB2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -59.48 -36.0 75.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.07 29.97 76.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.506 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.408 ' HB2' ' CG ' ' A' ' 25' ' ' LYS . 15.0 mt-10 -117.69 123.59 29.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.707 0.765 . . . . 0.0 110.86 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 143.25 50.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.766 2.31 . . . . 0.0 112.304 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.556 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.8 m95 67.59 34.76 4.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.428 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 92.0 m -97.32 97.17 8.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 110' ' ' PRO . 29.1 p90 -88.52 165.43 14.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -166.89 129.33 1.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.561 HG21 ' CE3' ' A' ' 8' ' ' TRP . 26.3 t -92.02 132.32 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 -147.22 128.46 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.821 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -43.65 151.33 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 t -84.52 158.0 21.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -103.77 -66.61 0.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t -43.36 -74.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -82.94 131.0 55.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.669 0.747 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 145.38 56.71 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.686 2.257 . . . . 0.0 112.387 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.461 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 75.44 -46.92 1.99 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.552 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -43.47 166.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.461 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 5.6 m-85 -131.13 172.72 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 45' ' ' LEU . 40.7 t -138.05 151.07 24.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.094 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.427 ' N ' HG13 ' A' ' 44' ' ' VAL . 61.7 tp -126.29 102.57 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 m -99.1 135.45 40.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.403 ' CG1' HG11 ' A' ' 105' ' ' VAL . 93.3 t -138.99 143.1 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.431 ' HG ' ' CB ' ' A' ' 60' ' ' LEU . 18.4 tp -98.52 97.09 8.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.2 p -54.43 156.83 3.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.457 ' CB ' ' CZ2' ' A' ' 29' ' ' TRP . 10.4 t70 -81.05 1.23 32.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -94.13 115.35 65.09 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.62 0.724 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 152.03 69.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.314 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -58.16 -41.78 84.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -125.64 -58.83 1.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.79 -148.84 5.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 86.47 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.744 2.296 . . . . 0.0 112.394 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.41 -27.0 1.09 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.523 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 99.2 p -79.21 153.21 76.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.628 0.728 . . . . 0.0 110.92 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.3 Cg_endo -69.71 114.77 3.8 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.431 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 59.7 mt -36.57 149.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -73.63 147.38 43.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.4 t -109.82 148.47 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.2 m -125.47 117.45 23.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.425 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 74.0 m-70 -99.38 120.19 39.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.791 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 53.8 mt -127.11 112.06 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -69.34 117.47 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.0 t -86.2 106.23 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.0 mtm -68.98 156.91 37.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.2 t -133.65 124.04 26.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -114.12 89.38 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.37 49.77 73.08 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.32 -48.27 1.13 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.539 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -65.58 158.48 27.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.558 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 25.6 m-85 -123.65 153.52 40.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.962 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 t -159.12 174.32 15.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 78' ' ' GLY . 35.7 m -140.38 105.56 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.213 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 37.96 26.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.481 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -141.03 147.25 18.86 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.405 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.3 mp -59.88 -27.6 66.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -52.44 174.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.1 p -156.31 169.23 25.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.491 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 85.1 m-85 -149.41 138.77 21.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -41.58 -51.61 3.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.7 p -158.88 176.43 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.558 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 2.9 mm? -46.49 -31.54 2.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.1 m -64.77 -54.33 33.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -65.66 -33.24 75.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.491 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.2 tt -70.7 -62.02 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 92' ' ' PHE . 64.7 t -55.14 -59.11 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -42.89 -61.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -54.31 -21.52 9.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 89' ' ' VAL . 2.5 m-85 -93.7 -18.85 21.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -74.07 -18.81 60.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -106.8 -35.72 6.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 80.7 p -87.83 -40.45 14.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.26 165.9 41.52 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 76.5 mt -118.14 142.27 33.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.538 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 23.9 tt0 -108.8 142.25 39.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -101.66 151.96 21.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.88 -59.09 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.5 m -44.79 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.95 30.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.425 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -110.71 156.0 21.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 8.9 m-85 -127.3 114.05 17.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.403 HG11 ' CG1' ' A' ' 47' ' ' VAL . 83.8 t -84.72 132.19 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.556 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 23.0 m-85 -120.16 132.93 55.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.53 96.59 6.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.469 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 33.0 mtp180 -93.58 -45.57 7.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -143.88 142.88 21.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.619 0.723 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 54.7 Cg_endo -69.69 -165.75 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.634 2.223 . . . . 0.0 112.433 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.428 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 86.1 t80 -137.8 107.97 6.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 15.7 m-85 -93.8 155.15 17.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.5 t -97.54 149.52 22.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.864 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.54 115.63 3.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.29 59.53 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.65 2.233 . . . . 0.0 112.358 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.4 m -102.96 78.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.4 t -90.67 93.48 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.916 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.497 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.9 mmt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.734 0.302 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -62.79 101.1 0.23 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -70.05 86.04 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -77.25 86.97 3.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.88 124.36 4.92 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . 0.462 ' CG2' ' HA3' ' A' ' 15' ' ' GLY . 27.1 m -88.81 142.31 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.791 0.329 . . . . 0.0 111.154 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 17.1 mm -70.17 159.05 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.5 m -49.43 169.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.49 -175.0 3.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 89.9 mt -112.47 -175.37 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.442 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 2.6 p30 -78.87 -50.01 11.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.618 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -46.47 -52.44 29.86 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 110.882 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.1 Cg_endo -69.76 141.68 45.87 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.674 2.25 . . . . 0.0 112.359 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -67.81 167.93 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 110.856 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -146.53 133.99 20.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.06 -167.27 30.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 p -166.99 135.03 2.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.955 0.407 . . . . 0.0 110.845 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.8 p -116.78 138.12 51.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.66 -134.2 1.71 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.559 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -116.9 18.63 14.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.943 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -92.05 124.37 36.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -102.98 -56.37 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.97 -128.92 9.54 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -50.66 101.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.5 ttm -163.8 139.8 6.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.1 p -104.15 172.48 6.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.35 -61.33 7.61 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.543 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.36 -43.77 7.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.457 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 7.4 tp60 -64.04 -64.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 0.0 110.901 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.48 -44.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -57.01 -45.83 82.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 17' ' ' GLN . 70.5 m -63.8 -55.1 25.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.457 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 5.2 mp -53.52 -37.21 62.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.9 mt -76.96 -66.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -44.48 -46.42 9.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.89 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -58.66 -40.33 83.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.35 14.62 71.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.508 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -100.64 121.35 53.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.7 58.0 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.8 m95 67.09 34.59 4.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 92.0 m -97.51 97.75 9.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 110' ' ' PRO . 26.6 p90 -88.71 154.68 20.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.47 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -154.89 133.84 12.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.559 HG21 ' CE3' ' A' ' 8' ' ' TRP . 17.1 t -95.93 146.44 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.429 ' N ' HG12 ' A' ' 33' ' ' VAL . 6.4 ptt-85 -162.8 142.6 9.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.809 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.62 149.43 27.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.1 m -68.7 178.43 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 mp -109.53 -44.96 3.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.4 t -70.84 -64.71 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.402 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 42.5 tp60 -91.7 107.2 20.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.518 0.675 . . . . 0.0 110.941 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 39' ' ' GLN . 53.5 Cg_endo -69.79 3.16 2.95 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.698 2.265 . . . . 0.0 112.259 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.76 1.91 24.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.54 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -118.39 147.98 42.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -122.9 177.18 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.7 t -149.69 150.77 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.0 tp -127.14 119.72 27.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.2 m -105.89 142.29 35.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.458 HG23 ' CB ' ' A' ' 31' ' ' PHE . 84.4 t -140.15 133.72 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 tp -89.95 96.04 10.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.1 p -61.13 156.41 18.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 6.6 t70 -78.61 2.08 20.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -90.56 115.05 63.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.485 0.659 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 145.5 57.25 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -56.35 -47.05 79.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.22 -60.19 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.81 -146.95 5.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 85.44 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.677 2.251 . . . . 0.0 112.363 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.19 -24.98 1.41 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.3 p -78.46 153.48 78.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.692 0.758 . . . . 0.0 110.826 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 115.03 3.91 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.314 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 44.4 mt -37.25 145.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.006 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -66.25 150.25 49.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.1 t -119.99 112.49 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.1 m -85.61 122.87 30.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.189 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -101.77 106.84 17.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.4 mt -112.31 102.07 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.53 ' HE3' ' CD1' ' B' ' 8' ' ' PTR . 5.8 ptpp? -64.4 132.35 49.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.7 t -101.04 112.09 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 45.7 mtm -80.49 157.1 26.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.7 t -126.33 138.08 53.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -128.77 75.1 1.62 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.3 58.17 5.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.43 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.9 -45.33 2.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -71.39 174.7 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.513 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 30.2 m-85 -137.88 141.27 40.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 t -144.16 161.26 39.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.144 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -126.16 86.7 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.59 -56.65 3.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.412 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.44 165.74 31.47 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.7 mt -76.44 -23.13 53.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.344 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -50.09 177.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.8 p -155.34 170.07 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.261 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.509 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 58.3 m-85 -146.54 141.63 27.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -39.54 -54.13 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.418 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 17.2 p -161.67 -178.4 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.513 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 4.1 mm? -46.9 -30.8 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.1 m -67.49 -60.63 2.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -57.11 -37.06 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.509 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -68.76 -62.67 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.412 ' N ' HD22 ' A' ' 88' ' ' LEU . 84.1 t -53.73 -58.19 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -44.41 -57.75 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -54.65 -23.91 19.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CD1' HG13 ' A' ' 97' ' ' ILE . 4.5 m-85 -93.65 -15.66 25.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -74.83 -19.67 60.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -105.85 -36.06 7.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.9 p -87.95 -56.11 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.04 153.07 25.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.427 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.54 HG13 ' CD1' ' A' ' 92' ' ' PHE . 24.2 mt -101.04 139.5 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.335 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.483 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 51.4 tt0 -111.86 118.58 35.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.67 135.39 33.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -40.37 -52.92 2.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 m -40.24 -39.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.16 28.84 1.18 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -112.1 152.01 28.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 111.085 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.7 m-85 -121.69 106.8 11.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.456 HG12 ' CG1' ' A' ' 47' ' ' VAL . 95.6 t -80.43 128.28 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.117 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.561 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.9 m-85 -113.76 128.34 56.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 mp -105.36 87.37 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.457 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 39.3 mtp180 -81.05 -50.01 10.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -141.94 144.06 30.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.549 0.69 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.518 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.8 Cg_endo -69.79 -164.64 0.13 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.685 2.257 . . . . 0.0 112.32 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.434 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 89.7 t80 -133.98 102.59 5.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.518 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 7.2 m-85 -86.52 111.58 20.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.6 t -64.35 -55.09 23.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.784 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 102.41 141.94 12.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.479 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 -15.34 36.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.643 2.229 . . . . 0.0 112.343 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.1 t -57.7 -48.7 78.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 79.4 p -39.33 -54.2 1.88 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.811 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.198 -0.779 . . . . 0.0 112.518 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.4 ttp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.791 0.329 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -108.27 136.0 48.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -52.01 150.55 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -70.0 128.76 37.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.82 131.88 2.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.439 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -120.41 140.94 42.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.806 0.336 . . . . 0.0 111.187 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 mm -69.74 153.97 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' PTR . . . . . 0.53 ' CD1' ' HE3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.0 m -89.06 100.08 12.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.3 177.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.442 ' N ' HD12 ' B' ' 11' ' ' LEU . 0.6 OUTLIER -107.41 -174.84 2.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.508 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 1.8 p30 -80.1 -53.72 6.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.627 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -43.02 -51.71 12.63 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.4 Cg_endo -69.78 110.5 2.57 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.287 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.155 0 C-N-CA 122.639 2.226 . . . . 0.0 112.38 179.893 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.616 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -123.26 24.73 8.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.807 0.337 . . . . 0.0 110.915 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.404 ' OH ' ' CG ' ' A' ' 35' ' ' GLU . 6.2 t80 -98.01 114.3 26.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -92.59 -57.97 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.28 -127.88 9.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -46.06 119.14 2.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.5 ttm -174.7 150.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.5 m -109.75 152.61 25.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.43 -69.48 0.77 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.457 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.86 -27.12 3.15 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.493 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.742 ' HG2' HD11 ' A' ' 21' ' ' LEU . 26.4 tt0 -68.6 -65.3 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.69 0.281 . . . . 0.0 110.858 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HA ' HD13 ' A' ' 21' ' ' LEU . . . -37.35 -50.45 1.04 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.435 ' HA ' HG21 ' A' ' 62' ' ' VAL . 8.5 mt-10 -46.18 -49.01 17.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.3 m -60.29 -62.84 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.767 ' H ' HD12 ' A' ' 21' ' ' LEU . 4.5 mp -46.45 -47.1 19.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.44 -65.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -45.63 -35.85 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.77 97.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -34.72 67.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.98 29.62 73.08 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.418 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -118.97 123.56 28.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 143.4 50.4 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.741 2.294 . . . . 0.0 112.295 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.505 ' CD2' ' HB2' ' A' ' 106' ' ' TYR . 6.9 m95 67.26 31.06 6.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.6 m -92.33 97.03 10.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.792 ' CB ' HD23 ' A' ' 107' ' ' LEU . 26.3 p90 -88.74 159.08 17.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.831 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.589 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -163.0 130.51 3.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.616 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 17.8 t -91.35 139.9 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.419 ' NH1' HG11 ' A' ' 44' ' ' VAL . 2.9 ptm180 -150.05 148.33 28.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.404 ' CG ' ' OH ' ' A' ' 9' ' ' TYR . 33.2 mt-10 -80.78 125.07 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.863 -179.78 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.556 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 13.5 t70 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.849 0.356 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 42' ' ' ASP . 3.6 m-85 -145.82 176.09 9.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.419 HG11 ' NH1' ' A' ' 34' ' ' ARG . 74.6 t -145.84 136.68 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.8 tp -111.47 97.16 6.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.0 m -87.47 138.36 31.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.693 HG11 ' CG1' ' A' ' 105' ' ' VAL . 71.8 t -143.25 133.85 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.166 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.0 tp -89.62 96.11 10.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.6 p -58.01 152.57 16.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.414 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 20.2 t70 -77.18 1.23 18.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.954 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -90.85 112.54 54.01 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.529 0.681 . . . . 0.0 110.923 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.52 68.18 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -57.91 -45.19 86.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.932 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.75 -72.91 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -147.72 -154.31 6.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 83.75 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.712 2.275 . . . . 0.0 112.361 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.58 -26.24 0.52 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -76.06 155.78 84.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.675 0.75 . . . . 0.0 110.842 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 114.43 3.71 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.63 2.22 . . . . 0.0 112.331 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.1 mt -39.05 146.38 0.08 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -70.04 153.94 42.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.435 HG21 ' HA ' ' A' ' 19' ' ' GLU . 4.6 t -117.29 124.52 73.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.607 HG21 HG21 ' A' ' 105' ' ' VAL . 53.2 m -95.52 108.48 20.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -96.79 114.51 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.9 mt -123.44 122.69 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -74.6 125.73 29.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 50.3 t -100.73 101.5 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.8 mtm -66.73 169.91 7.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.7 t -136.0 132.08 35.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -122.15 87.99 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.77 52.13 54.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.78 -38.66 3.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.499 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -75.4 174.67 9.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.527 ' CD2' HD22 ' A' ' 85' ' ' LEU . 29.4 m-85 -138.13 148.18 44.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 t -148.3 160.48 42.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 76' ' ' VAL . 34.9 m -125.77 91.13 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 48.65 18.24 0.96 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.443 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -124.22 163.54 17.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.462 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 76.7 mt -76.21 -20.43 57.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.26 169.45 15.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.7 p -145.56 172.77 12.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.492 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 78.3 m-85 -148.79 135.9 20.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.05 -52.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.481 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 7.1 t -162.02 178.14 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.579 ' O ' HG23 ' A' ' 89' ' ' VAL . 3.4 mm? -45.76 -30.49 1.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.0 m -65.24 -59.71 3.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -60.76 -38.43 85.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.492 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 8.6 tt -65.7 -65.59 0.66 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 85' ' ' LEU . 91.9 t -50.49 -57.7 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -44.74 -55.61 5.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -57.01 -22.49 39.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.586 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.9 m-85 -93.8 -24.05 17.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -67.99 -17.52 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.507 ' HG3' HG23 ' A' ' 95' ' ' THR . 3.0 ptpt -104.81 -32.87 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.974 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.507 HG23 ' HG3' ' A' ' 94' ' ' LYS . 45.2 p -98.29 -69.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.413 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . 118.21 156.96 10.4 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.586 HG13 ' CD1' ' A' ' 92' ' ' PHE . 21.1 mt -99.42 137.99 25.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.738 0.304 . . . . 0.0 111.176 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.592 ' OE1' ' CD1' ' A' ' 104' ' ' PHE . 4.6 tp10 -102.33 128.98 48.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 102' ' ' GLY . 19.4 mt-10 -97.08 128.95 44.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -34.17 -40.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.0 m -54.15 -48.11 71.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.825 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 133.84 29.2 0.47 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.494 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -116.91 150.05 39.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.352 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.592 ' CD1' ' OE1' ' A' ' 98' ' ' GLU . 10.2 m-85 -118.46 108.36 14.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.693 ' CG1' HG11 ' A' ' 47' ' ' VAL . 77.9 t -73.74 136.16 25.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.187 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.505 ' HB2' ' CD2' ' A' ' 29' ' ' TRP . 18.8 m-85 -117.55 141.46 48.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.792 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.4 mp -122.44 90.63 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.469 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 33.3 mtp85 -85.49 -43.78 13.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -144.44 141.66 18.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 54.0 Cg_endo -69.68 -164.71 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.349 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -130.09 111.25 12.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.517 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 16.9 m-85 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ASP . . . . . 0.539 ' O ' HD12 ' B' ' 11' ' ' LEU . 3.3 m-20 -50.33 178.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.628 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 3.2 mp -124.39 -174.33 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.544 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -115.02 27.29 9.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.775 0.321 . . . . 0.0 110.892 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -105.6 125.1 50.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -108.48 -61.92 1.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 12' ' ' HIS . . . 85.59 167.36 43.3 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.468 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 11' ' ' GLY . 10.5 m80 36.98 47.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.6 ttm -130.28 137.9 50.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 p -95.47 179.36 5.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.94 -61.29 4.1 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.5 -29.65 1.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.511 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.823 ' HG3' HD11 ' A' ' 21' ' ' LEU . 32.4 tp60 -72.7 -64.7 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -38.63 -43.21 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.426 ' HA ' HG21 ' A' ' 62' ' ' VAL . 6.7 mt-10 -54.59 -45.6 73.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 78.5 m -64.43 -56.04 16.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.823 HD11 ' HG3' ' A' ' 17' ' ' GLN . 4.9 mp -53.92 -52.48 60.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.495 ' CG ' HD23 ' A' ' 32' ' ' LEU . 30.6 mt -59.0 -62.53 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -47.8 -49.1 29.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.74 -41.74 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -55.34 -35.39 65.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.65 28.61 71.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -116.17 121.92 32.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 143.22 50.03 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.351 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.53 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.1 m95 70.42 28.11 3.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.2 m -90.28 99.4 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.565 ' CB ' HD23 ' A' ' 107' ' ' LEU . 21.4 p90 -91.71 162.76 14.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.495 HD23 ' CG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -163.56 137.34 5.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.588 HG11 ' HG ' ' A' ' 85' ' ' LEU . 21.8 t -98.31 136.79 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.605 ' NH2' HG11 ' A' ' 44' ' ' VAL . 48.4 ptt85 -148.85 164.25 35.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -96.59 166.29 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.805 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.427 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 8.9 m-85 -129.66 175.29 8.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.605 HG11 ' NH2' ' A' ' 34' ' ' ARG . 24.8 t -148.78 143.84 18.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.4 tp -119.87 117.66 28.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 m -107.87 145.18 34.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.615 HG11 ' CG1' ' A' ' 105' ' ' VAL . 97.0 t -146.75 141.89 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.498 ' CD1' HG22 ' A' ' 62' ' ' VAL . 16.9 tp -98.74 97.93 9.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 p -60.2 150.47 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -72.29 -4.99 32.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.889 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 44.6 mt-30 -84.27 112.33 40.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.587 0.708 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 51' ' ' GLN . 54.3 Cg_endo -69.82 147.43 62.47 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 5.9 mtpm? -54.83 -57.24 12.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.62 -45.99 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.99 -147.75 9.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 88.22 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.296 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.5 -30.05 1.3 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.529 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 p -79.18 155.3 77.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.685 0.755 . . . . 0.0 110.859 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 114.64 3.76 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.752 2.301 . . . . 0.0 112.327 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.9 mt -37.31 149.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.5 tpt85 -69.63 147.48 50.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.498 HG22 ' CD1' ' A' ' 48' ' ' LEU . 42.1 t -115.4 125.5 72.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.7 m -99.45 117.83 34.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -105.85 114.68 28.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.592 HD13 HG21 ' A' ' 97' ' ' ILE . 16.1 mt -118.43 131.38 71.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -72.39 141.59 48.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.0 t -115.42 99.36 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.431 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 29.4 mtm -71.7 157.9 37.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 46.7 t -116.5 115.13 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -101.89 88.72 3.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 49.98 69.33 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.07 -34.63 2.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -81.35 -178.27 6.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.663 ' CD2' HD22 ' A' ' 85' ' ' LEU . 27.4 m-85 -140.11 147.14 39.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.6 t -152.06 163.33 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 76' ' ' VAL . 9.2 m -126.36 86.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.093 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.431 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 81.74 -76.05 2.24 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.475 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.75 176.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.9 mt -84.65 -17.65 37.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.829 0.347 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.431 ' O ' ' CG2' ' A' ' 81' ' ' THR . 17.8 mt-10 -46.34 172.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 80.7 p -158.87 153.01 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.509 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 64.4 m-85 -134.09 140.46 46.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -45.81 -33.26 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.9 m -172.97 -177.6 1.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.663 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.7 mm? -52.06 -28.33 16.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.9 m -66.07 -58.68 4.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.455 ' CB ' ' HB3' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -58.4 -35.01 71.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.509 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.2 tt -69.9 -59.83 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 85' ' ' LEU . 65.7 t -58.32 -61.73 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -43.56 -54.94 4.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -61.01 -22.89 64.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 89' ' ' VAL . 4.4 m-85 -93.7 -15.27 25.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -74.31 -16.59 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.475 ' HG3' HG23 ' A' ' 95' ' ' THR . 24.5 pttt -106.33 -37.47 6.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.475 HG23 ' HG3' ' A' ' 94' ' ' LYS . 72.9 p -90.09 -45.39 9.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.36 169.18 40.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.592 HG21 HD13 ' A' ' 65' ' ' ILE . 20.7 mt -110.54 136.11 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.158 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.545 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 25.1 tt0 -105.62 111.48 24.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 102' ' ' GLY . 77.8 mt-10 -69.91 137.5 51.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 99' ' ' GLU . . . -34.33 -58.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -47.7 -43.27 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 146.53 -35.24 1.33 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.458 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.39 152.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 0.0 111.109 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.9 m-85 -125.05 120.54 31.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.813 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.615 ' CG1' HG11 ' A' ' 47' ' ' VAL . 98.2 t -90.46 136.51 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.53 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.1 m-85 -119.88 133.12 55.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.565 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.1 mp -111.51 90.3 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -85.82 -48.65 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.2 pm0 -142.59 142.2 22.5 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.548 0.69 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 53.6 Cg_endo -69.76 -164.17 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 77.5 t80 -130.67 125.04 32.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.983 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.88 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.833 0.349 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.66 -177.43 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.81 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.479 ' CD1' ' N ' ' B' ' 11' ' ' LEU . 0.4 OUTLIER -113.91 172.49 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.473 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -116.22 25.43 10.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.713 0.292 . . . . 0.0 110.829 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -97.18 121.78 39.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.546 ' CD2' HD13 ' A' ' 32' ' ' LEU . 54.5 m-70 -97.41 -53.04 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.99 -106.79 3.43 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.415 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 1.1 p80 -69.43 107.38 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.2 ttp -175.12 131.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.2 m -84.84 -178.6 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.797 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 17' ' ' GLN . . . -70.35 -73.03 0.81 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.39 -26.38 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.543 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.802 ' HG2' HD11 ' A' ' 21' ' ' LEU . 19.6 tt0 -67.23 -65.97 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -37.98 -39.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.442 ' HG2' HG21 ' A' ' 62' ' ' VAL . 10.0 mt-10 -58.25 -43.27 87.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' GLN . 70.5 m -68.48 -44.99 73.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.802 HD11 ' HG2' ' A' ' 17' ' ' GLN . 5.1 mp -64.81 -37.97 89.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.664 HD21 HD23 ' A' ' 32' ' ' LEU . 61.9 mt -76.64 -56.91 4.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.433 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 90.9 mt-30 -53.65 -44.28 69.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.86 -39.27 71.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -61.71 -41.22 97.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.89 24.11 76.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -108.6 122.4 40.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 143.91 52.31 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.556 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.8 m95 67.15 36.47 4.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 99.0 m -99.86 96.68 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.166 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.66 ' CB ' HG22 ' A' ' 47' ' ' VAL . 14.1 p90 -92.15 164.82 13.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.833 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.664 HD23 HD21 ' A' ' 22' ' ' LEU . 1.8 pp -166.76 137.89 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.473 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 59.7 t -93.6 142.0 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -158.82 147.3 18.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -80.11 158.46 26.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.835 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.797 0.332 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.448 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 43.5 m-85 -90.94 155.76 18.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 65' ' ' ILE . 21.2 t -133.79 144.82 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.5 tp -119.06 108.33 14.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.6 m -103.15 134.38 46.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.66 HG22 ' CB ' ' A' ' 31' ' ' PHE . 85.3 t -136.75 143.59 34.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.426 ' CD1' HG22 ' A' ' 62' ' ' VAL . 17.5 tp -98.96 98.92 9.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.4 p -60.15 155.2 17.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.531 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.7 OUTLIER -75.89 -0.49 21.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -90.29 115.67 64.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.537 0.684 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 150.84 68.89 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.655 2.237 . . . . 0.0 112.357 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -57.43 -50.69 72.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.25 -45.93 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.055 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.77 -145.99 7.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 93.02 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.642 2.228 . . . . 0.0 112.322 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 140.96 -31.59 2.18 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.8 p -75.86 153.76 85.01 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.701 0.762 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.433 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.72 115.73 4.22 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.72 2.28 . . . . 0.0 112.384 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 59' ' ' PRO . 46.3 mt -35.62 153.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 -74.79 145.48 42.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.442 HG21 ' HG2' ' A' ' 19' ' ' GLU . 21.4 t -112.09 135.95 49.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 65.1 m -111.27 108.36 17.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.411 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 75.7 m-70 -91.98 119.74 31.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.519 ' O ' HG13 ' A' ' 44' ' ' VAL . 37.5 mt -118.27 129.01 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -85.4 104.09 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.9 t -79.02 115.03 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.413 ' HE3' ' H ' ' A' ' 77' ' ' GLY . 25.7 mtm -86.49 149.62 24.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.3 t -111.46 120.06 40.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -108.82 84.92 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.29 54.11 36.98 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.98 -36.4 3.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -80.37 166.65 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.697 ' CD2' HD22 ' A' ' 85' ' ' LEU . 24.1 m-85 -121.6 139.92 52.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.988 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.6 t -139.97 148.07 41.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 76' ' ' VAL . 30.0 m -112.62 88.04 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.413 ' H ' ' HE3' ' A' ' 68' ' ' MET . . . 46.94 28.43 3.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -133.77 160.69 24.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.24 -19.27 62.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.46 177.62 3.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.7 p -151.03 171.33 17.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 84.0 m-85 -148.39 127.72 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 82' ' ' PHE . 3.4 m-20 -34.44 -55.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.443 ' HA ' ' CE2' ' A' ' 74' ' ' TYR . 6.9 t -153.61 -175.3 5.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.697 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.4 mm? -54.49 -33.76 60.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.9 m -60.98 -56.84 16.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.22 -44.22 95.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.893 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.9 tt -63.6 -65.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 85' ' ' LEU . 96.5 t -50.7 -58.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -45.51 -56.42 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -56.24 -21.34 22.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.548 ' HD2' HD23 ' A' ' 88' ' ' LEU . 4.6 m-85 -93.79 -24.19 17.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -67.21 -20.71 65.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.453 ' HG3' HG23 ' A' ' 95' ' ' THR . 7.1 pttp -104.73 -41.0 5.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.453 HG23 ' HG3' ' A' ' 94' ' ' LYS . 68.1 p -82.16 -55.0 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.33 162.61 21.72 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.46 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.502 HG13 ' CD1' ' A' ' 92' ' ' PHE . 46.3 mt -116.39 133.1 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.552 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 17.9 tt0 -104.92 133.64 49.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -95.08 143.15 26.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -38.01 -65.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.7 p -41.5 -37.11 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.13 -32.54 2.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.43 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.85 154.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.1 m-85 -126.66 120.25 29.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.65 ' CG1' HG11 ' A' ' 47' ' ' VAL . 93.6 t -92.28 134.66 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.556 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.7 m-85 -121.92 137.11 54.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.645 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.7 mp -113.28 99.96 8.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.826 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.463 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 37.4 mtp180 -96.77 -45.38 6.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -143.54 143.5 24.06 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.548 0.69 . . . . 0.0 110.956 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -164.08 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.472 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 91.2 t80 -141.89 109.88 5.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 -179.887 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.836 0.351 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.83 -175.09 3.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.462 HD21 ' CG2' ' A' ' 97' ' ' ILE . 63.2 mt -111.68 -175.14 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.68 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -115.05 26.91 9.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 0.0 110.943 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -106.91 99.15 8.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -71.86 -60.47 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.3 -114.94 2.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.513 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 3.3 p80 -76.35 119.95 20.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 110.84 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.459 ' HG2' ' N ' ' A' ' 14' ' ' SER . 35.5 ttm -173.49 149.83 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.459 ' N ' ' HG2' ' A' ' 13' ' ' MET . 6.7 p -108.18 159.15 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -49.06 -60.53 6.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.4 -36.44 2.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.533 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.731 ' HG3' HD11 ' A' ' 21' ' ' LEU . 11.5 tp60 -71.22 -64.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -38.28 -44.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.481 ' HA ' HG21 ' A' ' 62' ' ' VAL . 8.6 mt-10 -55.72 -46.1 77.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.1 m -63.19 -50.99 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.731 HD11 ' HG3' ' A' ' 17' ' ' GLN . 5.2 mp -58.28 -47.11 84.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.462 HD21 HD23 ' A' ' 32' ' ' LEU . 35.2 mt -64.58 -58.12 7.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -53.28 -36.06 60.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.67 -32.29 73.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -66.49 -41.98 88.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.801 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.33 3.03 60.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -90.12 118.83 69.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 142.04 46.92 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.481 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.3 m95 73.58 26.57 1.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.1 m -89.01 100.38 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.793 ' CB ' HD23 ' A' ' 107' ' ' LEU . 18.4 p90 -93.49 152.48 19.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -156.23 134.89 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.68 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 17.1 t -92.71 141.54 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -150.08 162.01 41.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -94.11 138.97 31.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.748 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.864 0.364 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.519 ' CZ ' ' OH ' ' A' ' 74' ' ' TYR . 6.0 m-85 -118.24 171.48 8.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.3 t -145.44 141.79 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 tp -116.71 122.04 43.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -107.49 148.59 28.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.791 HG11 ' CG1' ' A' ' 105' ' ' VAL . 74.0 t -152.37 133.23 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 22' ' ' LEU . 18.1 tp -91.2 96.89 10.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 p -57.18 152.24 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.479 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 14.4 t70 -77.51 1.19 20.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -96.47 121.04 61.11 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.555 0.693 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 147.62 63.69 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.383 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -54.74 -45.42 74.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.42 -49.01 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.044 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.408 ' HA3' ' HD2' ' A' ' 56' ' ' PRO . . . 176.82 -148.12 8.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.408 ' HD2' ' HA3' ' A' ' 55' ' ' GLY . 53.2 Cg_endo -69.77 86.24 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.3 -27.5 1.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.53 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.1 p -82.59 153.47 67.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.683 0.754 . . . . 0.0 110.816 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.0 Cg_endo -69.76 116.25 4.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' PRO . 57.9 mt -33.94 146.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -73.42 147.17 44.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.481 HG21 ' HA ' ' A' ' 19' ' ' GLU . 60.9 t -112.48 117.74 56.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.478 HG21 HG21 ' A' ' 105' ' ' VAL . 96.0 m -88.98 109.83 20.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -99.3 109.29 21.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.427 HD13 HD13 ' A' ' 97' ' ' ILE . 18.3 mt -111.28 128.25 67.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -72.59 134.56 45.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.2 t -109.88 94.29 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.482 ' HE3' ' H ' ' A' ' 77' ' ' GLY . 28.7 mtm -73.17 165.27 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 33.4 t -122.6 126.58 48.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -129.06 118.45 22.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.45 27.9 68.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.06 -19.59 52.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.416 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.431 ' CB ' ' HB ' ' A' ' 81' ' ' THR . 1.7 mpt_? -88.96 -178.38 5.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.706 ' CD2' HD22 ' A' ' 85' ' ' LEU . 31.7 m-85 -120.63 143.98 48.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -142.87 169.76 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 76' ' ' VAL . 9.6 m -134.64 88.88 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.482 ' H ' ' HE3' ' A' ' 68' ' ' MET . . . 53.37 20.1 9.93 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -132.62 165.47 23.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.553 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.7 mt -76.6 -15.83 59.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.736 0.303 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -67.6 168.52 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.431 ' HB ' ' CB ' ' A' ' 73' ' ' ARG . 65.6 p -151.62 158.26 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 60.0 m-85 -135.11 131.66 37.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 82' ' ' PHE . 2.0 m-20 -34.27 -43.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.485 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 3.1 m -166.63 176.99 6.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.706 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.1 mm? -45.13 -29.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.0 m -67.11 -57.11 7.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.81 -29.56 68.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.542 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 8.4 tt -77.06 -64.85 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.652 HG11 ' CE2' ' A' ' 31' ' ' PHE . 96.8 t -53.1 -58.0 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -44.9 -57.99 3.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -54.23 -22.14 10.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.496 ' CD1' HG13 ' A' ' 97' ' ' ILE . 2.6 m-85 -93.56 -21.0 19.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.4 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 35.3 mtmt -71.92 -15.32 62.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.553 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.0 pttt -106.23 -36.68 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.553 HG23 ' HG3' ' A' ' 94' ' ' LYS . 72.3 p -95.24 -63.0 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.51 158.6 16.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.541 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.496 HG13 ' CD1' ' A' ' 92' ' ' PHE . 22.1 mt -99.59 146.32 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 111.181 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 29.7 tt0 -119.0 111.53 18.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -78.36 136.96 37.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -43.0 -55.72 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 100' ' ' ALA . 1.7 t -37.04 -48.79 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.09 29.92 0.33 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -114.72 155.62 26.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.52 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 10.5 m-85 -124.81 117.14 23.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.791 ' CG1' HG11 ' A' ' 47' ' ' VAL . 85.1 t -88.19 136.98 21.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.481 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 20.0 m-85 -121.07 143.42 49.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.793 HD23 ' CB ' ' A' ' 31' ' ' PHE . 2.4 mp -121.86 93.28 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.456 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 22.2 mtp85 -88.39 -49.03 7.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -140.37 143.48 33.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.72 . . . . 0.0 110.962 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.507 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.82 -166.79 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -132.03 112.11 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.507 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.3 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.469 ' HB2' HG23 ' A' ' 63' ' ' THR . 3.1 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.888 0.375 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ASP . . . . . 0.497 ' O ' HD12 ' B' ' 11' ' ' LEU . 1.5 m-20 -61.65 -179.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 2.6 mp -119.53 -174.28 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.874 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.55 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -114.42 28.64 8.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.75 0.31 . . . . 0.0 110.93 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -104.86 110.23 22.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -85.54 -53.24 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.2 -92.17 1.08 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -75.11 97.91 3.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 110.816 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.6 ttm -153.74 152.82 31.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.4 m -120.44 155.76 32.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.75 -69.29 0.89 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.538 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.51 -30.26 3.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.781 ' HG2' HD11 ' A' ' 21' ' ' LEU . 6.8 tt0 -72.63 -65.34 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 110.963 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -35.69 -46.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.459 ' HA ' HG21 ' A' ' 62' ' ' VAL . 25.0 mt-10 -57.11 -47.18 81.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' GLN . 91.4 m -60.05 -47.44 85.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.781 HD11 ' HG2' ' A' ' 17' ' ' GLN . 5.2 mp -61.18 -47.09 87.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.421 HD13 HG13 ' A' ' 62' ' ' VAL . 44.0 mt -66.47 -63.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.416 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 95.2 mt-30 -48.2 -47.91 35.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.46 -42.65 74.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -55.63 -34.89 65.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.97 22.2 64.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -108.53 120.59 45.94 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.635 0.731 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 143.36 50.31 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.566 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.8 m95 69.07 32.99 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 85.2 m -97.11 97.26 9.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.683 ' CB ' HG22 ' A' ' 47' ' ' VAL . 26.8 p90 -91.55 155.5 18.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.525 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -158.93 129.8 6.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.55 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 6.0 t -88.81 143.02 12.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.059 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -153.74 124.89 7.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -39.82 160.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.42 ' HB2' ' C ' ' A' ' 42' ' ' ASP . 1.1 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.42 ' C ' ' HB2' ' A' ' 36' ' ' SER . 23.3 t70 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.79 0.328 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -130.86 172.29 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.5 t -144.76 145.58 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.637 HD21 HD21 ' A' ' 107' ' ' LEU . 15.5 tp -118.61 90.19 3.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 t -84.63 136.41 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.83 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.683 HG22 ' CB ' ' A' ' 31' ' ' PHE . 74.9 t -140.05 140.7 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.415 HD22 ' O ' ' A' ' 22' ' ' LEU . 23.3 tp -95.26 96.14 8.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 p -59.21 144.59 45.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.553 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.5 OUTLIER -68.17 -3.5 10.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -87.62 115.91 64.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.516 0.674 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 150.72 68.65 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.33 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -59.49 -46.17 89.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.09 -48.97 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.01 -148.62 9.02 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.495 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 83.15 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.71 -24.97 0.74 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.427 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.5 p -84.6 153.2 61.29 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 60' ' ' LEU . 53.8 Cg_endo -69.72 114.1 3.59 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.3 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 59' ' ' PRO . 83.6 mt -34.52 147.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -70.04 146.27 51.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.459 HG21 ' HA ' ' A' ' 19' ' ' GLU . 59.3 t -113.34 115.16 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.514 HG21 HG21 ' A' ' 105' ' ' VAL . 78.6 m -85.82 121.64 28.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -107.58 106.52 16.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.7 mt -114.28 125.2 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -78.3 136.14 37.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.952 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 74' ' ' TYR . 21.4 t -108.46 99.31 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.454 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 20.5 mtm -67.54 151.1 47.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.2 t -131.58 115.84 16.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -112.65 103.89 11.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.91 -42.45 2.7 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 174.72 -26.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -79.95 164.79 23.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.371 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.633 ' CD2' HD22 ' A' ' 85' ' ' LEU . 28.5 m-85 -118.35 141.98 47.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.1 t -147.72 156.58 42.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 76' ' ' VAL . 8.2 m -121.39 87.55 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.454 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 50.64 23.77 7.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.489 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.24 158.93 21.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 23.5 mt -71.91 -17.01 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 81' ' ' THR . 9.6 mt-10 -67.54 178.96 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 64.0 p -160.13 158.12 29.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 63.8 m-85 -138.88 145.56 40.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.26 -51.95 30.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.504 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 3.2 m -158.04 179.22 9.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.633 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.4 mm? -47.72 -33.42 6.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.7 m -65.1 -55.03 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -62.02 -37.19 83.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.505 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.7 tt -70.57 -65.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 85' ' ' LEU . 72.4 t -48.81 -57.75 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -44.94 -55.42 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -58.01 -21.6 45.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.453 ' HD2' HD23 ' A' ' 88' ' ' LEU . 4.0 m-85 -93.64 -24.52 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -66.54 -17.8 65.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HG3' HG23 ' A' ' 95' ' ' THR . 12.2 ptpt -106.43 -37.08 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.473 HG23 ' HG3' ' A' ' 94' ' ' LYS . 65.0 p -90.12 -59.99 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.59 155.89 23.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.578 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 22.9 mt -98.83 143.78 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.731 0.3 . . . . 0.0 111.149 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.416 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 26.8 tt0 -113.45 111.34 21.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -78.58 137.45 37.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -38.68 -55.87 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.4 p -40.9 -39.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 126.36 21.55 1.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -99.5 156.56 16.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 111.084 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.416 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 9.9 m-85 -127.73 103.75 7.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.679 ' CG1' HG11 ' A' ' 47' ' ' VAL . 90.0 t -76.29 136.57 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.566 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.5 m-85 -117.6 126.02 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.637 HD21 HD21 ' A' ' 45' ' ' LEU . 2.2 mp -102.11 75.78 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.518 ' HG3' ' CD1' ' A' ' 29' ' ' TRP . 2.5 mmp_? -72.26 -57.39 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 -134.05 142.35 43.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 53.4 Cg_endo -69.7 -163.67 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.473 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 67.5 t80 -142.58 115.62 8.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.87 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.915 0.388 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ASP . . . . . 0.544 ' C ' HD12 ' B' ' 11' ' ' LEU . 0.5 OUTLIER -70.61 -175.59 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.544 HD12 ' C ' ' B' ' 10' ' ' ASP . 0.7 OUTLIER -115.95 -174.71 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 p30 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.414 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 0.1 OUTLIER -106.69 29.73 6.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.774 0.321 . . . . 0.0 110.935 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -104.06 119.47 39.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -97.64 -63.28 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.27 -123.36 5.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.529 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -61.29 115.29 3.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.825 0.345 . . . . 0.0 110.829 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.5 tpp -159.63 152.35 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.5 m -107.39 145.81 32.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.82 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.41 -72.98 0.25 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.42 -26.22 0.95 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.459 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.821 ' HG3' HD11 ' A' ' 21' ' ' LEU . 7.5 tp60 -66.5 -64.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.39 -50.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.573 ' HA ' HG21 ' A' ' 62' ' ' VAL . 13.5 mt-10 -47.25 -49.46 23.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 m -60.78 -62.48 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.821 HD11 ' HG3' ' A' ' 17' ' ' GLN . 4.8 mp -46.32 -52.53 12.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.537 HD21 HD23 ' A' ' 32' ' ' LEU . 18.7 mt -59.5 -67.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.98 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.423 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 72.2 mt-30 -41.85 -43.18 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.23 -41.59 72.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -36.96 75.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.96 27.06 70.74 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -114.59 122.04 34.73 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 142.76 49.01 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.77 2.313 . . . . 0.0 112.327 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.528 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 6.3 m95 71.38 26.64 3.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.4 m -90.2 96.68 10.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.209 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.664 ' CB ' HD23 ' A' ' 107' ' ' LEU . 21.1 p90 -90.98 165.35 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.537 HD23 HD21 ' A' ' 22' ' ' LEU . 2.9 pp -167.9 138.36 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.424 HG11 ' HG ' ' A' ' 85' ' ' LEU . 36.1 t -98.03 145.22 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.458 ' HD3' HD11 ' A' ' 32' ' ' LEU . 41.9 ptt85 -157.87 115.87 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' ARG . 2.2 tt0 -36.96 155.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 -179.758 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.442 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 9.4 t70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.445 ' CZ ' ' OH ' ' A' ' 74' ' ' TYR . 12.5 m-85 -141.97 173.46 11.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.9 t -136.42 136.16 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.182 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.4 tp -118.29 104.58 10.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.3 m -99.71 141.06 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.638 HG11 HG13 ' A' ' 105' ' ' VAL . 74.4 t -142.96 135.23 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.44 HD11 ' O ' ' A' ' 60' ' ' LEU . 16.9 tp -89.02 97.75 11.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.5 p -56.63 158.26 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.791 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.528 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 5.1 t70 -83.39 2.09 38.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -94.33 110.41 48.43 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.55 0.691 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 153.98 68.14 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.712 2.274 . . . . 0.0 112.289 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -60.05 -55.05 38.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -116.38 -60.45 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -148.06 -154.28 6.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -19.16 36.46 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.638 2.225 . . . . 0.0 112.305 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -91.18 -17.23 51.51 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.8 p -84.59 152.71 60.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.678 0.751 . . . . 0.0 110.792 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.423 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.81 142.0 46.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.263 . . . . 0.0 112.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.44 ' O ' HD11 ' A' ' 48' ' ' LEU . 72.4 mt -64.91 142.12 58.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -66.27 150.41 48.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.573 HG21 ' HA ' ' A' ' 19' ' ' GLU . 18.1 t -115.16 127.68 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.1 m -100.76 110.14 22.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.199 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -94.16 123.21 37.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.4 mt -131.86 112.91 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -71.26 113.4 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.5 t -82.06 115.92 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.149 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.454 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 42.7 mtm -77.39 174.55 10.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 31.7 t -141.71 114.98 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.03 82.12 5.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.14 -74.07 1.47 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -128.57 -14.63 2.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.45 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -103.39 -178.79 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.736 ' CE2' HD22 ' A' ' 85' ' ' LEU . 26.4 m-85 -125.96 150.54 47.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.8 t -156.18 154.57 31.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 76' ' ' VAL . 13.5 m -123.69 86.06 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.454 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 77.01 -50.52 3.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.59 163.01 49.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 77.9 mt -75.99 -21.18 57.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.963 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -52.54 173.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.5 p -153.06 164.78 37.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.493 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 77.8 m-85 -143.15 135.61 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 82' ' ' PHE . 4.4 m-20 -37.8 -39.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 t -174.63 -178.73 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.736 HD22 ' CE2' ' A' ' 74' ' ' TYR . 3.6 mm? -44.96 -32.64 1.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.9 m -64.42 -59.67 4.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.11 -37.57 74.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.493 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.2 tt -69.55 -64.12 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 85' ' ' LEU . 72.3 t -53.18 -59.73 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -44.61 -59.8 2.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -55.21 -21.03 12.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -93.66 -15.9 24.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -77.17 -16.21 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.479 ' HG3' HG23 ' A' ' 95' ' ' THR . 5.9 ptpt -105.98 -35.62 7.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.479 HG23 ' HG3' ' A' ' 94' ' ' LYS . 73.2 p -93.2 -54.62 3.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.09 167.74 21.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.422 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 50.5 mt -113.82 125.1 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.761 0.315 . . . . 0.0 111.157 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.609 ' CD ' ' CE2' ' A' ' 104' ' ' PHE . 4.9 tp10 -95.14 120.45 35.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -88.29 156.45 19.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -58.9 -54.71 44.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -39.93 -42.28 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 128.72 25.55 1.01 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -108.97 159.16 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 111.081 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.609 ' CE2' ' CD ' ' A' ' 98' ' ' GLU . 8.7 m-85 -124.51 103.48 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.638 HG13 HG11 ' A' ' 47' ' ' VAL . 78.1 t -73.54 139.53 19.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.509 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 19.7 m-85 -122.59 140.81 52.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.664 HD23 ' CB ' ' A' ' 31' ' ' PHE . 2.0 mp -118.95 90.45 3.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.969 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.467 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 21.5 mtm180 -86.42 -45.32 11.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -145.98 142.24 17.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.528 0.68 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.534 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 54.1 Cg_endo -69.75 -164.05 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.39 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -133.5 107.22 7.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.968 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.534 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 35.0 m-85 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.3 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.46 164.6 12.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.599 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 0.5 OUTLIER -93.37 -173.25 3.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.865 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.479 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -116.61 29.14 8.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.783 0.325 . . . . 0.0 110.891 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -101.73 123.71 46.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.983 0.42 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -104.84 -62.12 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.47 -109.52 2.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -57.29 106.35 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.756 0.312 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.8 ttm -172.45 147.48 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.0 p -118.98 154.95 32.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -41.15 -51.44 4.3 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.536 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.38 -50.27 57.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.807 ' O ' HD12 ' A' ' 21' ' ' LEU . 16.4 tp60 -59.39 -61.77 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -39.78 -46.61 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.533 ' HA ' HG21 ' A' ' 62' ' ' VAL . 6.6 mt-10 -55.34 -46.72 76.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -60.27 -54.7 42.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 17' ' ' GLN . 5.0 mp -55.31 -49.77 71.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.983 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.782 HD21 HD23 ' A' ' 32' ' ' LEU . 38.7 mt -60.69 -61.22 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.469 ' CG ' ' HB2' ' A' ' 59' ' ' PRO . 92.8 mt-30 -49.89 -56.85 8.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.56 -44.89 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -58.19 -37.99 75.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 64.36 27.87 72.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -107.67 120.22 47.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.671 0.748 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 143.01 49.54 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.402 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.5 m95 66.62 35.79 5.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 96.7 m -99.78 98.65 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.065 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.653 ' CB ' HD23 ' A' ' 107' ' ' LEU . 24.4 p90 -92.81 163.43 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.782 HD23 HD21 ' A' ' 22' ' ' LEU . 3.4 pp -167.2 133.8 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.479 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 61.6 t -92.18 140.74 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -150.8 134.03 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -57.13 166.23 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.5 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.796 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 2.1 m-85 -109.81 168.55 9.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 82.3 t -138.3 134.64 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.9 tp -105.35 122.92 46.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.81 148.03 37.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.734 HG11 HG13 ' A' ' 105' ' ' VAL . 85.4 t -153.64 143.64 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.0 tp -103.79 99.27 9.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.1 p -58.8 153.3 17.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.506 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.5 OUTLIER -75.38 -4.07 37.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 37.1 mt-30 -86.99 113.78 55.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.542 0.687 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 51' ' ' GLN . 53.1 Cg_endo -69.83 147.92 63.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.649 2.233 . . . . 0.0 112.294 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -50.91 -47.13 60.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.32 -52.8 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.062 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.411 ' HA3' ' HD2' ' A' ' 56' ' ' PRO . . . -177.41 -144.33 5.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.411 ' HD2' ' HA3' ' A' ' 55' ' ' GLY . 52.9 Cg_endo -69.83 91.58 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 142.92 -35.3 1.71 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.43 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.3 p -72.12 152.88 92.66 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.597 0.713 . . . . 0.0 110.856 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.469 ' HB2' ' CG ' ' A' ' 23' ' ' GLN . 53.4 Cg_endo -69.79 118.03 5.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.296 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.6 mt -38.6 151.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -75.84 146.07 40.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.533 HG21 ' HA ' ' A' ' 19' ' ' GLU . 49.3 t -110.8 143.08 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.185 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.3 m -118.76 113.58 21.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -99.31 108.97 21.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.0 mt -110.99 108.24 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -65.53 108.08 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.7 t -79.41 113.74 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.469 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 22.6 mtm -83.32 154.18 24.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.9 t -124.3 136.77 54.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -130.68 79.44 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.53 57.23 4.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.442 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.41 -41.02 3.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -76.18 157.08 33.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.841 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 22.2 m-85 -119.22 146.89 44.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -139.21 171.86 13.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 76' ' ' VAL . 26.8 m -134.23 96.53 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.469 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 40.46 26.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -140.57 172.48 23.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.491 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.8 mp -78.55 -27.87 45.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -56.06 164.65 1.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.7 p -143.97 164.97 29.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.54 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 86.7 m-85 -143.05 145.46 32.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -48.57 -48.39 38.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.563 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 5.2 m -166.46 -177.64 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.687 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.2 mm? -48.05 -33.77 8.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 68.8 m -64.89 -58.84 5.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -58.98 -42.9 91.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.4 tt -64.37 -62.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 85' ' ' LEU . 95.8 t -51.99 -60.71 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -44.39 -60.09 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -50.97 -24.0 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.559 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.9 m-85 -93.87 -26.24 16.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -65.68 -18.29 65.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 pttt -106.95 -39.08 5.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.3 p -83.16 -56.32 3.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.212 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.24 157.58 14.67 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.559 HG13 ' CD1' ' A' ' 92' ' ' PHE . 45.7 mt -116.82 135.88 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 111.13 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -108.88 149.38 29.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -107.63 148.77 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -48.38 -49.59 34.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t -52.56 -47.27 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.72 30.59 0.25 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.422 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -103.92 157.68 16.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 111.058 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -127.22 106.08 9.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.734 HG13 HG11 ' A' ' 47' ' ' VAL . 83.3 t -82.54 132.91 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.554 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.9 m-85 -119.77 135.91 54.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.653 HD23 ' CB ' ' A' ' 31' ' ' PHE . 2.3 mp -113.5 96.98 6.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.47 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 24.0 mtm180 -92.74 -45.21 8.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.4 pm0 -146.37 143.82 19.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.417 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.7 Cg_endo -69.71 -165.07 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.361 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.455 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 94.4 t80 -135.91 113.14 10.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.417 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.8 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.94 0.4 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.0 -176.34 4.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.584 HD11 ' HB ' ' A' ' 76' ' ' VAL . 76.8 mt -108.86 -175.11 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.404 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -116.36 26.69 9.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.36 . . . . 0.0 110.927 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -100.46 120.12 39.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -100.96 -45.05 5.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.48 -117.22 5.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.43 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -61.51 101.22 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.5 tpp -157.56 127.28 6.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.8 p -84.28 149.04 26.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.48 -60.12 3.85 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.34 -43.17 9.83 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.796 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.7 tp60 -58.02 -64.45 0.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.763 0.316 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -36.86 -52.73 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 12.4 mt-10 -48.49 -47.83 38.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.5 m -60.24 -59.69 5.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.1 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.796 HD12 ' O ' ' A' ' 17' ' ' GLN . 4.8 mp -50.4 -47.58 56.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.1 mt -61.61 -65.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -46.47 -54.05 9.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.33 -40.99 5.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.073 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -61.85 -38.14 87.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.53 17.37 66.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.526 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -100.47 122.02 51.17 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.716 0.77 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 142.06 47.26 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.748 2.299 . . . . 0.0 112.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.555 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 8.0 m95 68.75 34.54 3.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.6 m -97.01 97.52 9.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.652 ' CB ' HD23 ' A' ' 107' ' ' LEU . 33.3 p90 -87.83 167.35 13.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.552 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -168.82 132.91 1.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.404 HG21 ' CE3' ' A' ' 8' ' ' TRP . 50.5 t -92.81 150.82 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.7 ptt85 -167.73 128.89 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -43.72 154.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 6.1 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 36' ' ' SER . 6.9 t0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.811 0.339 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 5.3 m-85 -118.26 178.05 4.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.0 t -145.96 139.2 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 tp -116.17 110.12 18.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.8 m -99.86 141.39 32.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.592 HG11 HG13 ' A' ' 105' ' ' VAL . 96.9 t -142.38 148.05 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.1 tp -103.66 97.48 7.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.8 p -59.2 150.69 24.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.804 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 2.1 t70 -74.87 0.75 14.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -89.87 114.29 60.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.717 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.52 60.42 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.653 2.236 . . . . 0.0 112.369 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -50.82 -57.42 8.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -109.32 -61.2 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -163.83 -148.39 5.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.63 84.77 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.388 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.38 -28.84 0.87 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 p -75.11 155.23 86.4 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 60' ' ' LEU . 53.6 Cg_endo -69.79 115.73 4.23 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' PRO . 52.2 mt -36.24 147.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -72.97 151.49 41.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.4 t -115.24 134.46 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.48 HG21 HG21 ' A' ' 105' ' ' VAL . 57.8 m -106.88 106.76 17.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.41 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 82.2 m-70 -93.42 114.74 27.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 21.9 mt -125.73 131.73 71.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -79.01 141.59 37.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.9 t -113.34 108.64 26.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.438 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 41.1 mtm -75.27 160.76 29.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.1 t -128.51 122.75 31.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -108.33 92.2 3.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 50.95 62.12 5.59 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.21 -37.56 3.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -78.18 173.47 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.35 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.646 ' CE2' HD22 ' A' ' 85' ' ' LEU . 30.2 m-85 -134.26 150.91 51.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.057 0.456 . . . . 0.0 110.883 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.9 t -154.82 166.15 34.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 76' ' ' VAL . 16.6 m -129.92 87.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.438 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.09 -61.0 2.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.74 174.2 2.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.449 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 mp -84.76 -14.48 48.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.72 0.295 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -53.48 172.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.1 p -156.96 152.71 27.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.15 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 67.0 m-85 -130.72 154.99 47.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -55.78 -45.99 78.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.415 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 26.5 p -165.79 -175.91 3.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.679 ' O ' HG23 ' A' ' 89' ' ' VAL . 2.9 mm? -50.86 -33.71 25.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.5 m -65.58 -56.16 13.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.15 -39.36 92.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.498 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 7.9 tt -66.61 -59.0 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 85' ' ' LEU . 73.1 t -57.4 -57.97 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -44.65 -54.92 5.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -56.11 -24.03 37.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -93.73 -18.85 21.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -74.45 -15.56 60.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.427 ' HG3' HG23 ' A' ' 95' ' ' THR . 3.4 ptmt -106.71 -36.43 6.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.427 HG23 ' HG3' ' A' ' 94' ' ' LYS . 81.3 p -91.56 -64.75 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 118.93 157.68 10.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.419 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 41.0 mt -103.16 136.75 34.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.772 0.32 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 55.6 tt0 -108.35 117.32 33.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.682 ' OE1' HD12 ' B' ' 11' ' ' LEU . 5.3 mm-40 -87.27 154.23 20.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' SER . . . -56.42 -57.42 12.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' ALA . 3.7 m -35.45 -43.94 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.32 23.79 1.09 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -107.85 162.27 14.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 111.077 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.0 m-85 -128.8 107.25 9.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.592 HG13 HG11 ' A' ' 47' ' ' VAL . 55.4 t -79.18 140.25 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.555 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 18.2 m-85 -122.41 143.57 49.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.652 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -122.67 95.11 4.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.417 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 41.7 mtp180 -90.99 -40.41 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -150.68 143.25 16.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.71 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.464 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.3 Cg_endo -69.76 -165.22 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 0.0 112.281 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 86.6 t80 -130.87 115.4 16.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.968 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.464 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.4 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.431 ' CB ' ' OE2' ' A' ' 99' ' ' GLU . 1.9 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.932 0.396 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.1 172.12 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.682 HD12 ' OE1' ' A' ' 99' ' ' GLU . 8.6 mp -101.76 -172.82 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.43 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -107.37 28.71 7.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.754 0.311 . . . . 0.0 110.91 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -102.52 113.26 26.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -89.06 -56.4 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.89 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.14 -112.16 3.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -77.28 126.07 30.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.749 0.309 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.524 ' SD ' ' HB2' ' A' ' 18' ' ' ALA . 24.3 ttm -174.26 138.64 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.3 t -76.01 139.45 41.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.0 -58.06 4.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.541 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.24 -28.5 50.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.544 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.832 ' HG2' HD11 ' A' ' 21' ' ' LEU . 12.2 tt0 -61.83 -64.28 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.524 ' HB2' ' SD ' ' A' ' 13' ' ' MET . . . -35.97 -51.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.532 ' HA ' HG21 ' A' ' 62' ' ' VAL . 16.3 mt-10 -45.65 -48.66 14.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.6 m -61.11 -66.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.832 HD11 ' HG2' ' A' ' 17' ' ' GLN . 4.6 mp -41.9 -44.18 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.984 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.629 HD21 HD23 ' A' ' 32' ' ' LEU . 32.1 mt -67.25 -60.09 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.467 ' CG ' ' HB2' ' A' ' 59' ' ' PRO . 98.3 mt-30 -50.33 -59.05 4.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.53 -39.23 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -61.21 -43.98 98.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.85 6.42 72.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.451 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.89 120.4 69.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 0.0 110.771 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 143.78 51.52 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.475 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 9.2 m95 68.51 31.28 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.437 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 88.2 m -92.04 96.87 10.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.658 ' CB ' HD23 ' A' ' 107' ' ' LEU . 17.3 p90 -90.1 159.03 17.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.629 HD23 HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -161.95 128.46 3.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.43 HG21 ' CE3' ' A' ' 8' ' ' TRP . 5.3 t -89.68 145.94 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -162.6 120.94 2.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -46.57 153.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.797 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.756 0.313 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -134.93 -178.38 5.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.2 t -153.93 148.48 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.768 HD21 HD21 ' A' ' 107' ' ' LEU . 24.4 tp -127.77 99.74 5.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 m -90.19 133.72 34.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.632 HG22 ' CB ' ' A' ' 31' ' ' PHE . 98.4 t -134.77 142.28 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.4 tp -97.22 96.52 8.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.9 p -53.61 156.26 2.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.815 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.472 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 2.5 t70 -78.7 1.6 22.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -97.88 126.05 42.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.624 0.726 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 158.59 56.45 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.62 2.213 . . . . 0.0 112.358 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -61.53 -48.26 81.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.42 -51.65 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -171.39 -149.9 6.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 90.85 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.31 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.24 -29.94 1.62 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.8 p -78.38 152.95 79.03 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.676 0.751 . . . . 0.0 110.844 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.467 ' HB2' ' CG ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.81 120.43 7.21 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.292 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 59' ' ' PRO . 29.0 mt -35.48 147.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -71.38 148.49 46.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.532 HG21 ' HA ' ' A' ' 19' ' ' GLU . 45.2 t -112.43 135.97 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 98.7 m -112.64 116.04 29.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.111 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -101.21 105.19 16.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.781 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.491 HD13 HD13 ' A' ' 97' ' ' ILE . 23.5 mt -103.37 131.25 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -79.24 124.77 28.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.8 t -105.08 92.78 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.473 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 43.9 mtm -62.82 169.26 3.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.6 t -136.6 128.85 29.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -122.43 83.02 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.98 54.84 22.41 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.52 -28.86 7.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -75.4 175.67 8.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.727 ' CE2' HD22 ' A' ' 85' ' ' LEU . 41.2 m-85 -143.92 143.63 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.4 t -152.54 162.54 41.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.151 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 76' ' ' VAL . 33.7 m -127.59 86.51 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.026 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.473 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.84 -48.67 2.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.539 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.21 164.5 52.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.46 -25.06 57.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.403 ' C ' HG23 ' A' ' 81' ' ' THR . 8.3 mt-10 -46.18 170.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.403 HG23 ' C ' ' A' ' 80' ' ' GLU . 67.0 p -157.65 159.63 37.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.511 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 70.7 m-85 -137.57 143.81 41.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -46.44 -35.09 5.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.473 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 2.8 m -173.61 173.28 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.727 HD22 ' CE2' ' A' ' 74' ' ' TYR . 3.1 mm? -41.93 -62.88 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.1 m -40.8 -47.39 2.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -67.39 -39.62 85.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.511 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.3 tt -69.4 -65.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.498 HG11 ' CE2' ' A' ' 31' ' ' PHE . 56.5 t -45.88 -58.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -43.57 -61.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -52.36 -23.56 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.799 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -93.74 -18.42 22.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -71.89 -20.86 61.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.457 ' HG3' HG23 ' A' ' 95' ' ' THR . 9.5 pttp -106.27 -40.91 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.457 HG23 ' HG3' ' A' ' 94' ' ' LYS . 52.7 p -82.89 -47.56 11.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.87 165.32 35.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.962 ' CG2' HD11 ' B' ' 11' ' ' LEU . 14.1 mt -109.92 142.73 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.113 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.47 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 23.5 tt0 -116.62 90.61 3.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -55.91 156.89 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.843 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -56.17 -60.15 3.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' ALA . 2.1 m -36.25 -37.83 0.13 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 123.18 26.28 1.7 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -103.9 149.46 25.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 8.8 m-85 -115.14 104.92 12.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.505 ' CG1' HG11 ' A' ' 47' ' ' VAL . 73.1 t -83.14 132.01 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.475 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 20.0 m-85 -116.79 138.86 51.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.768 HD21 HD21 ' A' ' 45' ' ' LEU . 1.5 mp -115.24 96.77 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.971 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.447 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 11.4 mtm180 -91.62 -48.45 6.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -142.57 143.61 27.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.41 ' CB ' ' HB3' ' A' ' 8' ' ' TRP . 54.6 Cg_endo -69.69 -165.1 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.691 2.261 . . . . 0.0 112.403 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.437 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 77.5 t80 -140.56 120.12 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.96 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 54.2 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -178.26 1.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.962 HD11 ' CG2' ' A' ' 97' ' ' ILE . 3.7 mm? -103.67 -174.05 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.817 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.472 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -119.75 28.3 8.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 110.885 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -104.83 123.33 47.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -98.12 -69.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' MET . . . 117.97 -119.04 4.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -53.34 84.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.772 0.32 . . . . 0.0 110.833 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' GLY . 14.9 tpp -140.63 143.52 35.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 m -109.93 159.26 17.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.88 -74.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.61 -33.68 0.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.827 ' HG2' HD11 ' A' ' 21' ' ' LEU . 11.7 tt0 -66.61 -65.31 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.339 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -35.07 -49.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -54.45 -48.69 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' GLN . 81.5 m -56.92 -52.7 64.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.827 HD11 ' HG2' ' A' ' 17' ' ' GLN . 5.0 mp -56.55 -58.89 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.524 ' O ' HD22 ' A' ' 48' ' ' LEU . 48.8 mt -54.23 -61.55 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -48.92 -51.61 29.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.15 -37.86 55.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -57.99 -42.9 86.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.7 6.82 67.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.545 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -95.51 120.49 63.56 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.687 0.756 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 142.4 47.95 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.473 ' CD1' ' HD2' ' A' ' 108' ' ' ARG . 7.6 m95 71.35 32.02 2.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.1 m -92.99 101.0 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.717 ' CB ' HD23 ' A' ' 107' ' ' LEU . 22.9 p90 -95.07 160.57 14.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.9 pp -167.1 142.58 4.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.472 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 36.8 t -96.34 135.88 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.0 ptt85 -144.42 111.46 5.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -47.7 122.1 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.802 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.863 0.364 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.438 ' CE1' ' CZ ' ' A' ' 74' ' ' TYR . 5.8 m-85 -130.07 -178.05 4.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.3 t -148.26 149.16 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 tp -127.07 116.87 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 m -106.63 148.19 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.631 HG11 HG13 ' A' ' 105' ' ' VAL . 98.9 t -148.46 134.6 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.524 HD22 ' O ' ' A' ' 22' ' ' LEU . 20.4 tp -89.97 97.29 11.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.1 p -59.34 157.81 10.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -80.74 0.96 32.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 37.6 mt-30 -90.38 111.48 47.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.711 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 51' ' ' GLN . 53.2 Cg_endo -69.85 151.19 68.47 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.73 2.287 . . . . 0.0 112.261 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -62.51 -56.24 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -134.65 90.55 2.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.36 -165.71 2.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.428 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 133.64 26.0 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.621 2.214 . . . . 0.0 112.343 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.21 -43.77 1.62 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 p -64.78 153.34 88.21 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.607 0.718 . . . . 0.0 110.832 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 120.85 7.57 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.9 mt -41.61 148.16 0.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -70.26 150.28 46.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.1 t -115.56 126.58 73.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.096 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.427 HG21 HG21 ' A' ' 105' ' ' VAL . 96.6 m -100.83 106.46 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -95.54 113.39 25.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.5 mt -118.68 125.03 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.155 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -73.56 133.02 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.3 t -101.57 101.02 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.472 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 28.6 mtm -65.43 161.42 19.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 40.3 t -129.34 120.93 26.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -119.13 102.45 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.11 56.66 13.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.77 -34.42 2.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -76.21 166.48 23.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.486 ' CD2' HD22 ' A' ' 85' ' ' LEU . 24.9 m-85 -126.09 150.59 48.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.955 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.3 t -156.86 163.84 38.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.186 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 76' ' ' VAL . 16.3 m -126.87 87.23 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.071 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.472 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 74.92 -58.68 2.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.05 167.89 11.0 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.0 mt -77.3 -23.48 51.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.721 0.296 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -46.5 170.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 79.3 p -155.21 157.4 37.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.49 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 60.1 m-85 -135.81 155.67 49.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.53 -46.49 77.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.8 p -169.22 178.22 4.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 89' ' ' VAL . 3.5 mm? -44.46 -27.96 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.402 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 54.3 m -71.62 -49.97 35.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -69.47 -38.42 77.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.49 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.3 tt -68.62 -61.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 85' ' ' LEU . 99.5 t -53.23 -58.19 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 86' ' ' THR . 49.7 mm-40 -44.24 -57.73 3.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -55.88 -21.91 22.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.475 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.2 m-85 -93.81 -15.96 24.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.504 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 37.7 mtmt -75.75 -16.16 60.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.8 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.476 ' HG3' HG23 ' A' ' 95' ' ' THR . 7.0 pttp -106.26 -37.02 6.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.476 HG23 ' HG3' ' A' ' 94' ' ' LYS . 72.7 p -90.0 -68.08 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 113.76 150.16 10.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.475 HG13 ' CD1' ' A' ' 92' ' ' PHE . 24.9 mt -94.9 140.86 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.076 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.5 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 31.2 tt0 -109.04 117.81 35.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.509 ' OE2' HG23 ' A' ' 105' ' ' VAL . 2.3 mp0 -85.92 142.67 28.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' SER . . . -38.82 -62.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' ALA . 91.9 p -35.77 -37.68 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.89 21.17 2.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.41 156.99 16.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 111.051 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.4 m-85 -126.34 106.93 9.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.631 HG13 HG11 ' A' ' 47' ' ' VAL . 75.5 t -76.77 134.54 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.141 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.447 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 22.4 m-85 -118.49 133.86 55.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.717 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.8 mp -112.93 94.12 4.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.834 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.473 ' HD2' ' CD1' ' A' ' 29' ' ' TRP . 12.9 mtp-105 -91.23 -46.91 7.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.7 pm0 -140.44 141.53 26.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.512 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.0 Cg_endo -69.83 -163.77 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.309 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.538 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 89.7 t80 -135.5 112.76 10.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.512 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 6.8 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.15 178.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.496 HD21 ' HB ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -107.63 -174.89 2.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.954 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.567 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -120.3 25.78 9.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.968 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -97.28 116.28 29.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -114.1 74.09 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.39 166.41 34.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 62.56 33.2 16.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.7 0.286 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.507 ' CE ' HD22 ' A' ' 21' ' ' LEU . 37.4 ttm -118.56 155.77 30.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.461 ' N ' ' HG2' ' A' ' 13' ' ' MET . 58.8 m -108.79 158.73 17.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.72 -70.38 0.93 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.21 -24.99 1.69 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.846 ' HG3' HD11 ' A' ' 21' ' ' LEU . 20.4 tp60 -68.39 -62.55 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 110.942 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -36.53 -46.63 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.491 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 25.9 mt-10 -50.31 -46.96 55.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 63.1 m -63.05 -60.95 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.223 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.846 HD11 ' HG3' ' A' ' 17' ' ' GLN . 4.5 mp -48.86 -45.37 40.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.573 ' HG ' HD23 ' A' ' 32' ' ' LEU . 19.7 mt -66.01 -61.8 1.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.446 ' CG ' ' HB2' ' A' ' 59' ' ' PRO . 75.3 mt-30 -48.51 -57.96 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.0 -41.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.06 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -60.49 -41.77 94.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.11 8.97 66.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -91.08 120.29 68.62 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.707 0.765 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 142.02 46.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.5 m95 70.97 30.6 2.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.435 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 94.6 m -93.55 100.89 13.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.821 ' CB ' HD23 ' A' ' 107' ' ' LEU . 25.5 p90 -93.01 157.14 16.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.607 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -161.06 135.32 7.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.567 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 42.7 t -93.0 150.35 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' NH2' HG11 ' A' ' 44' ' ' VAL . 50.2 ptt85 -162.31 142.69 10.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -58.98 161.27 5.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.537 ' HB3' HG23 ' A' ' 44' ' ' VAL . 8.3 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.525 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 53.8 m-20 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.782 0.325 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.525 ' CD1' ' C ' ' A' ' 42' ' ' ASP . 1.3 m-85 -139.45 172.73 12.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 36' ' ' SER . 75.8 t -138.95 147.72 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.7 tp -122.12 121.55 37.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.0 m -112.45 146.0 39.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.669 HG11 ' CG1' ' A' ' 105' ' ' VAL . 87.2 t -148.97 133.88 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.434 ' CD1' HG22 ' A' ' 62' ' ' VAL . 17.9 tp -90.07 97.39 11.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.8 p -60.32 155.83 17.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 4.3 t70 -76.62 1.13 17.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -89.28 116.06 65.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.585 0.707 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 142.89 49.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.254 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -49.54 -50.23 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.85 -50.88 2.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.57 -146.97 6.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 91.4 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.689 2.259 . . . . 0.0 112.393 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 144.58 -32.25 1.74 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.535 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 p -77.03 153.18 82.64 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.653 0.739 . . . . 0.0 110.913 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.446 ' HB2' ' CG ' ' A' ' 23' ' ' GLN . 54.4 Cg_endo -69.7 118.55 5.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 59' ' ' PRO . 24.7 mt -34.67 151.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.83 145.52 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.434 HG22 ' CD1' ' A' ' 48' ' ' LEU . 34.7 t -111.32 125.4 68.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.012 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.441 HG23 ' HB2' ' B' ' 9' ' ' SER . 71.3 m -103.7 119.01 38.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.491 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 40.8 m-70 -105.62 114.61 28.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.503 HD13 HD13 ' A' ' 97' ' ' ILE . 14.5 mt -115.85 118.7 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -63.64 144.21 57.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.2 t -116.58 107.62 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.049 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.461 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 36.2 mtm -74.98 153.54 38.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 27.3 t -137.87 122.34 18.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.475 ' HG3' ' CG ' ' A' ' 73' ' ' ARG . 2.4 pt-20 -115.65 99.75 7.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.45 -50.53 2.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -168.92 -29.68 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.445 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.475 ' CG ' ' HG3' ' A' ' 70' ' ' GLU . 14.1 ptt180 -81.79 149.59 28.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.665 ' CE2' HD22 ' A' ' 85' ' ' LEU . 29.4 m-85 -106.8 151.26 25.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.1 t -159.91 153.0 21.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 76' ' ' VAL . 17.6 m -118.06 85.97 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.461 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.89 -63.66 2.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.15 149.25 27.17 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.428 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.8 mt -62.78 -14.41 44.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 81' ' ' THR . 7.9 mt-10 -52.46 -175.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 80' ' ' GLU . 47.1 p -162.33 174.01 13.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.226 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.553 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 59.3 m-85 -157.54 134.19 9.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 82' ' ' PHE . 6.2 m-20 -36.21 -52.19 0.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.433 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 1.9 m -164.01 -176.22 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.665 HD22 ' CE2' ' A' ' 74' ' ' TYR . 3.3 mm? -47.86 -34.79 9.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.2 m -63.44 -58.25 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.84 -38.6 86.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.553 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -66.36 -61.64 1.9 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 85' ' ' LEU . 78.5 t -54.86 -55.95 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -45.24 -54.85 6.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.43 ' HA ' ' HZ2' ' A' ' 94' ' ' LYS . 13.2 t60 -59.23 -22.32 60.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.46 ' CD1' HG13 ' A' ' 97' ' ' ILE . 2.3 m-85 -93.75 -11.17 32.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -80.33 -16.46 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.524 ' HG3' HG23 ' A' ' 95' ' ' THR . 10.7 pttm -106.63 -38.67 6.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.524 HG23 ' HG3' ' A' ' 94' ' ' LYS . 72.8 p -88.76 -67.05 0.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.43 154.23 12.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.503 HD13 HD13 ' A' ' 65' ' ' ILE . 35.0 mt -98.7 132.98 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 111.093 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 38.9 tt0 -103.98 110.16 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -77.98 142.05 38.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -41.37 -58.61 1.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.072 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 m -38.77 -42.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 127.43 28.24 0.92 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -104.68 152.28 22.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.756 0.312 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.9 m-85 -125.71 104.49 8.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.669 ' CG1' HG11 ' A' ' 47' ' ' VAL . 92.4 t -75.76 133.87 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.569 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 19.7 m-85 -120.22 133.84 55.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.821 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.7 mp -112.46 96.41 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.436 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 30.9 mtp85 -90.55 -42.94 10.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 -146.98 142.42 17.03 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.578 0.704 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -164.14 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.639 2.226 . . . . 0.0 112.312 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.435 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 87.9 t80 -140.06 139.83 35.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.991 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 -179.901 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.441 ' HB2' HG23 ' A' ' 63' ' ' THR . 1.9 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.907 0.384 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.22 170.27 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.658 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 1.8 mp -96.6 179.89 4.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.551 -0.22 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.44 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -111.14 21.69 16.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.801 0.334 . . . . 0.0 110.949 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.408 ' OH ' ' CG ' ' A' ' 35' ' ' GLU . 6.1 t80 -99.31 113.87 26.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -94.43 -59.18 2.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.827 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.08 -100.98 1.13 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.428 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -69.3 101.13 1.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.757 0.313 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 39.0 ttm -165.92 158.37 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.0 p -125.72 179.77 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.38 -60.56 6.94 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.6 -42.39 27.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.752 ' HG3' HD11 ' A' ' 21' ' ' LEU . 4.8 tp60 -60.64 -62.42 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.712 0.291 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -38.3 -43.99 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.485 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 13.1 mt-10 -57.22 -45.89 83.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.4 m -63.7 -46.52 85.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.752 HD11 ' HG3' ' A' ' 17' ' ' GLN . 5.3 mp -63.18 -42.67 99.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.536 HD21 HD23 ' A' ' 32' ' ' LEU . 68.3 mt -71.64 -62.72 1.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.44 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 90.1 mt-30 -47.65 -45.34 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.991 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.3 90.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -54.33 -44.33 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.74 24.47 76.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.88 121.1 42.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 110.929 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 142.0 47.17 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.6 m95 68.54 33.29 4.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -95.31 99.73 11.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.473 ' CB ' HG22 ' A' ' 47' ' ' VAL . 20.5 p90 -93.48 160.8 14.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.813 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.568 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -164.92 135.58 3.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 t -104.55 151.7 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.554 HH22 ' N ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -152.74 -177.63 6.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' CG ' ' OH ' ' A' ' 9' ' ' TYR . 35.3 mt-10 -107.81 131.28 54.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.843 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.965 0.412 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 2.2 m-85 -108.42 178.58 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.5 t -146.28 148.79 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.432 HD21 HD21 ' A' ' 107' ' ' LEU . 47.4 tp -125.16 139.81 53.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.554 ' N ' HH22 ' A' ' 34' ' ' ARG . 68.3 m -126.32 149.23 49.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.615 HG11 ' CG1' ' A' ' 105' ' ' VAL . 66.1 t -150.37 140.4 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 60' ' ' LEU . 17.5 tp -99.63 98.06 8.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.6 p -59.71 159.03 9.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.454 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 3.7 t70 -81.39 2.41 28.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.409 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 35.1 mt-30 -92.57 108.87 34.71 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 51' ' ' GLN . 53.8 Cg_endo -69.67 148.51 65.8 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.402 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -52.88 -57.91 8.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.7 -74.87 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -143.39 -154.39 6.12 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 83.44 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.6 2.2 . . . . 0.0 112.351 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.36 -32.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.4 p -71.33 154.4 93.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.683 0.754 . . . . 0.0 110.877 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.44 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 54.1 Cg_endo -69.73 114.54 3.73 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.465 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 62.6 mt -36.71 149.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -70.38 145.81 50.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.472 HG11 ' CE1' ' A' ' 64' ' ' HIS . 65.4 t -114.48 132.33 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.599 HG23 ' HB2' ' B' ' 9' ' ' SER . 16.7 m -108.42 107.28 17.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.485 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 73.1 m-70 -93.42 114.91 27.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.3 mt -114.7 116.24 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -71.62 110.42 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.0 t -80.82 121.23 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.459 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 42.1 mtm -89.1 165.8 14.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.6 t -127.97 128.24 44.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.804 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -119.25 80.43 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.33 53.1 48.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 99.72 -50.09 1.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -68.41 177.29 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.886 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.614 ' CE2' HD22 ' A' ' 85' ' ' LEU . 28.6 m-85 -136.57 146.08 45.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 t -146.17 153.89 41.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.161 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 76' ' ' VAL . 33.2 m -121.63 86.15 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.459 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.39 -49.67 2.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.551 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.06 163.66 50.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.2 mt -76.68 -19.81 57.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.433 ' O ' ' CG2' ' A' ' 81' ' ' THR . 5.9 mm-40 -53.2 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.433 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 34.2 p -158.51 165.26 34.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.552 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 63.9 m-85 -144.17 137.5 27.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 82' ' ' PHE . 11.2 m-20 -37.91 -53.49 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.556 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 2.3 m -161.11 -176.33 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.614 HD22 ' CE2' ' A' ' 74' ' ' TYR . 4.3 mm? -47.99 -36.68 13.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.9 m -61.6 -61.64 2.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -55.84 -40.14 72.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.552 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -65.77 -65.41 0.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 85' ' ' LEU . 72.3 t -51.31 -59.57 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -44.09 -59.29 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -53.28 -21.88 6.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -93.73 -26.31 17.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.425 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 30.5 mtmt -67.24 -15.51 63.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.92 -45.86 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.2 p -77.66 -54.49 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.88 156.19 19.16 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.505 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.515 ' CG2' HD21 ' B' ' 11' ' ' LEU . 61.3 mt -108.32 133.76 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 111.09 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 33.9 tt0 -105.76 138.25 42.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -92.25 145.82 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -40.08 -58.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.059 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 m -54.07 -66.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 178.99 -35.9 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.62 151.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.348 . . . . 0.0 111.086 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 9.7 m-85 -127.64 124.57 38.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.615 ' CG1' HG11 ' A' ' 47' ' ' VAL . 94.9 t -92.6 134.19 31.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.567 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 23.6 m-85 -120.51 126.13 49.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.432 HD21 HD21 ' A' ' 45' ' ' LEU . 1.3 mp -102.62 78.12 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.488 ' HG3' ' CD1' ' A' ' 29' ' ' TRP . 1.8 mmp_? -75.24 -57.21 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -134.01 141.67 40.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.56 0.695 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.453 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.83 -164.61 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.392 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -138.34 110.69 7.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.453 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.9 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.599 ' HB2' HG23 ' A' ' 63' ' ' THR . 53.7 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.91 -175.06 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.515 HD21 ' CG2' ' A' ' 97' ' ' ILE . 87.8 mt -115.43 -179.06 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.416 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -106.82 21.41 17.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.835 0.35 . . . . 0.0 110.92 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -98.14 110.83 23.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -86.46 -62.35 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.68 -128.07 7.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 6.0 p80 -54.49 107.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.686 0.279 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.9 ttp -168.55 134.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 m -89.28 175.64 7.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 17' ' ' GLN . . . -65.94 -67.9 1.85 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.4 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.95 -28.11 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.688 ' HG3' HD11 ' A' ' 21' ' ' LEU . 6.2 tp60 -72.17 -63.88 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' HB2' ' HE ' ' A' ' 34' ' ' ARG . . . -36.16 -46.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 23.7 mt-10 -52.58 -47.26 66.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 65.7 m -63.09 -58.59 6.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.738 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.1 mp -50.3 -40.94 49.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.5 mt -74.52 -68.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -41.85 -42.94 2.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.45 -44.13 76.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -55.24 -45.04 76.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.23 13.72 82.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.0 122.05 53.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.662 0.744 . . . . 0.0 110.837 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 54.0 Cg_endo -69.79 141.63 45.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.378 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.583 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 7.9 m95 69.24 36.87 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 81.7 m -97.13 103.16 15.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.702 ' CB ' HD23 ' A' ' 107' ' ' LEU . 23.7 p90 -94.27 156.83 16.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.649 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.1 pp -160.1 139.85 11.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.416 HG21 ' CE3' ' A' ' 8' ' ' TRP . 24.9 t -101.2 143.28 14.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.105 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.472 ' HE ' ' HB2' ' A' ' 18' ' ' ALA . 25.2 ptt85 -157.74 146.19 19.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.798 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -61.51 172.82 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 -179.754 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 5.5 m-85 -107.7 171.94 7.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.4 t -133.86 135.21 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.4 tp -115.38 108.85 17.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -103.61 139.22 39.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.576 HG11 HG13 ' A' ' 105' ' ' VAL . 96.0 t -141.19 144.11 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.446 ' CD1' HG22 ' A' ' 62' ' ' VAL . 17.9 tp -99.1 97.63 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.2 p -61.8 150.82 35.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.765 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.583 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 4.6 t70 -72.64 1.0 9.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.762 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -90.46 113.25 56.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.521 0.677 . . . . 0.0 110.974 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 149.92 67.27 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -52.98 -51.32 61.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.86 -69.71 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.22 -152.54 5.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 79.85 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.634 2.223 . . . . 0.0 112.345 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.74 -28.15 0.28 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.441 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 p -78.18 153.4 79.64 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.743 0.782 . . . . 0.0 110.818 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.3 Cg_endo -69.75 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.262 . . . . 0.0 112.37 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' PRO . 26.1 mt -37.05 149.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -72.03 144.66 48.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.446 HG22 ' CD1' ' A' ' 48' ' ' LEU . 5.7 t -114.98 124.45 71.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.2 m -96.59 117.43 30.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.445 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 91.6 m-70 -99.38 105.16 17.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.8 mt -107.16 139.52 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -98.33 104.48 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.803 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.5 t -77.76 124.68 36.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.468 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 50.6 mtm -86.0 169.44 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.0 t -139.66 124.88 18.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -122.27 92.99 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.72 52.58 41.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.31 -41.45 2.58 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -70.44 159.98 33.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.706 ' CE2' HD22 ' A' ' 85' ' ' LEU . 25.5 m-85 -128.15 144.46 51.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.991 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 t -150.94 154.35 36.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.56 ' O ' HD12 ' B' ' 11' ' ' LEU . 15.7 m -118.72 85.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.468 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 79.01 -65.92 3.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.02 174.12 1.8 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.45 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 80' ' ' GLU . 32.1 mt -81.77 -19.82 40.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.688 0.28 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.4 ' C ' HG23 ' A' ' 81' ' ' THR . 11.8 mt-10 -45.66 172.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.4 HG23 ' C ' ' A' ' 80' ' ' GLU . 56.9 p -157.02 160.9 39.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 25.5 m-85 -144.22 147.27 33.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.3 -50.96 11.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -163.76 -178.68 5.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.706 HD22 ' CE2' ' A' ' 74' ' ' TYR . 2.1 mm? -47.82 -36.06 11.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.3 m -63.13 -53.61 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.85 -38.33 90.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -68.18 -63.11 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 85' ' ' LEU . 62.3 t -50.46 -56.71 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.156 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -44.19 -60.47 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -54.07 -20.85 7.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -93.4 -20.11 20.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.46 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 32.0 mtmt -74.08 -15.24 61.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.444 ' HG3' HG23 ' A' ' 95' ' ' THR . 5.7 ptmt -106.59 -37.01 6.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.444 HG23 ' HG3' ' A' ' 94' ' ' LYS . 59.8 p -91.78 -61.4 1.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 113.82 172.0 17.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.411 ' CG2' HD21 ' B' ' 11' ' ' LEU . 56.8 mt -121.05 136.08 59.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.743 0.306 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.508 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 8.3 tt0 -105.41 140.73 38.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -106.66 151.46 25.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.93 -58.99 4.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -42.26 -49.21 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.76 30.61 0.25 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.98 152.81 23.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.836 0.35 . . . . 0.0 111.037 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.508 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.8 m-85 -124.99 108.85 12.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.576 HG13 HG11 ' A' ' 47' ' ' VAL . 95.5 t -81.58 133.06 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.557 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.1 m-85 -119.11 129.49 55.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.702 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.2 mp -108.36 80.16 1.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -82.88 -48.46 10.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 8.1 pm0 -132.19 139.54 35.24 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -163.88 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.464 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 81.1 t80 -140.59 109.2 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.959 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.927 0.394 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.98 -175.12 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' 76' ' ' VAL . 80.9 mt -114.26 170.86 7.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.403 ' OD1' ' C ' ' B' ' 12' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.454 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -117.73 21.27 13.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.75 0.309 . . . . 0.0 110.9 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -95.41 107.06 19.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.495 ' CD2' HD13 ' A' ' 32' ' ' LEU . 58.7 m-70 -80.99 -62.22 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.832 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.01 -80.94 0.28 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.552 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -88.04 96.11 10.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.747 0.308 . . . . 0.0 110.808 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.468 ' HE2' HD22 ' A' ' 21' ' ' LEU . 41.2 ttm -155.7 127.44 7.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 t -97.91 157.4 16.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -41.4 -63.92 1.48 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.54 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.3 -33.08 52.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.78 ' O ' HD12 ' A' ' 21' ' ' LEU . 14.7 tt0 -65.74 -65.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.934 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.405 ' HA ' HD13 ' A' ' 21' ' ' LEU . . . -37.5 -52.32 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -47.0 -49.58 20.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.9 m -58.31 -63.32 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 17' ' ' GLN . 4.6 mp -46.26 -51.4 14.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.595 HD21 HD23 ' A' ' 32' ' ' LEU . 22.6 mt -60.21 -68.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.426 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 94.1 mt-30 -41.72 -44.28 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.41 -40.6 68.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' CG ' ' HB2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -57.64 -45.35 85.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.74 3.98 74.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.432 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' HB2' ' CG ' ' A' ' 25' ' ' LYS . 2.9 mm-40 -92.72 122.46 64.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.665 0.745 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 141.98 46.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.648 2.232 . . . . 0.0 112.297 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.492 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 8.3 m95 72.61 26.49 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.43 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 68.3 m -87.18 98.43 11.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.917 ' CB ' HD23 ' A' ' 107' ' ' LEU . 27.7 p90 -88.1 168.92 12.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.595 HD23 HD21 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -173.73 138.35 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.454 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 16.0 t -95.91 151.57 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -167.21 113.41 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -59.65 139.18 57.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.798 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.845 0.355 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -126.49 174.28 8.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.5 t -143.16 126.74 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.6 tp -104.6 104.6 14.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 m -91.88 140.97 29.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.67 HG11 ' CG1' ' A' ' 105' ' ' VAL . 78.4 t -145.53 132.03 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.101 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.0 tp -89.99 96.49 10.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.0 p -60.73 152.3 27.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.457 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -71.97 -1.37 14.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -85.68 117.14 68.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.517 0.675 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.28 66.4 Favored 'Trans proline' 0 C--O 1.23 0.125 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 1.8 mtpm? -70.5 -44.17 68.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.473 ' H ' ' CB ' ' A' ' 58' ' ' SER . . . -125.89 -45.39 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.515 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . 135.32 -57.96 0.68 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 53.5 Cg_endo -69.76 82.17 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.354 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 58.84 32.24 69.74 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.473 ' CB ' ' H ' ' A' ' 54' ' ' ALA . 78.4 p -81.4 148.95 64.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.702 0.763 . . . . 0.0 110.856 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.9 Cg_endo -69.78 113.31 3.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.78 2.32 . . . . 0.0 112.309 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.439 HD22 ' C ' ' A' ' 50' ' ' ASP . 25.6 mt -36.77 144.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.69 147.02 53.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.458 HG13 HD13 ' A' ' 22' ' ' LEU . 5.7 t -114.72 125.2 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 98.8 m -99.37 128.17 45.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -113.12 111.1 21.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.9 mt -114.5 131.93 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -82.08 109.16 16.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.8 t -86.09 109.27 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 75' ' ' THR . 35.3 mtm -62.78 146.57 52.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.1 t -121.72 100.99 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 71' ' ' GLY . 11.4 mt-10 -80.15 -174.45 4.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLU . . . -32.76 -60.3 0.41 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -140.07 0.76 2.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.41 ' CB ' ' HB ' ' A' ' 81' ' ' THR . 0.8 OUTLIER -114.85 175.27 5.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.828 0.346 . . . . 0.0 110.916 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.705 ' CE2' HD22 ' A' ' 85' ' ' LEU . 67.1 m-85 -126.22 157.3 38.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.032 0.444 . . . . 0.0 110.869 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 68' ' ' MET . 4.5 t -159.24 162.61 36.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 76' ' ' VAL . 31.1 m -129.17 102.86 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 45.28 25.6 1.23 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -134.95 168.9 23.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.3 mt -84.09 -23.76 30.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -62.38 171.45 1.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.41 ' HB ' ' CB ' ' A' ' 73' ' ' ARG . 71.1 p -149.84 167.97 25.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.543 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 35.0 m-85 -143.24 144.63 32.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -41.65 -53.17 3.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.4 m -159.36 178.52 9.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.705 HD22 ' CE2' ' A' ' 74' ' ' TYR . 3.7 mm? -47.06 -34.24 5.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.7 m -64.6 -56.04 16.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -59.75 -37.49 79.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.543 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.8 tt -69.28 -64.68 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 85' ' ' LEU . 96.2 t -50.65 -55.74 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -45.51 -56.21 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -57.52 -20.35 30.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.426 ' CD1' HG13 ' A' ' 97' ' ' ILE . 2.3 m-85 -93.84 -22.23 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -69.15 -17.27 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.001 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.55 ' HG3' HG23 ' A' ' 95' ' ' THR . 13.0 ptpt -105.86 -38.55 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.55 HG23 ' HG3' ' A' ' 94' ' ' LYS . 45.3 p -92.63 -58.48 2.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.83 165.6 25.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.557 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.426 HG13 ' CD1' ' A' ' 92' ' ' PHE . 21.4 mt -105.93 131.31 55.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.79 0.328 . . . . 0.0 111.159 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.623 ' CD ' ' CE2' ' A' ' 104' ' ' PHE . 5.5 tp10 -99.11 129.29 45.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 100' ' ' ALA . 40.3 mt-10 -94.13 128.96 40.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.85 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -34.4 -50.31 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.3 m -45.59 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.96 31.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.411 ' HB3' ' OE1' ' A' ' 99' ' ' GLU . . . -115.99 151.0 36.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.623 ' CE2' ' CD ' ' A' ' 98' ' ' GLU . 9.3 m-85 -122.87 111.57 16.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.67 ' CG1' HG11 ' A' ' 47' ' ' VAL . 97.3 t -84.53 133.94 28.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.085 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.492 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 23.1 m-85 -118.53 146.42 44.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.917 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.3 mp -125.2 95.17 4.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.456 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 28.1 mtm180 -88.51 -45.81 9.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -144.86 142.12 18.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.575 0.702 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 53.8 Cg_endo -69.66 -166.14 0.17 Allowed 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.724 2.282 . . . . 0.0 112.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.43 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 92.4 t80 -135.73 107.18 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.905 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.881 0.372 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ASP . . . . . 0.462 ' O ' HD12 ' B' ' 11' ' ' LEU . 6.0 m-20 -53.56 -178.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.834 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.85 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 0.7 OUTLIER -116.55 -173.78 2.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.983 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.445 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -114.2 28.93 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -102.47 132.14 48.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -112.43 -58.32 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.29 -125.15 7.02 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -57.47 104.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.8 ttm -152.58 114.32 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.5 t -72.32 148.57 45.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.07 -58.67 5.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.15 -33.23 44.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.454 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.78 ' HG2' HD11 ' A' ' 21' ' ' LEU . 7.5 tt0 -64.82 -65.38 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.792 0.33 . . . . 0.0 110.996 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HA ' HD13 ' A' ' 21' ' ' LEU . . . -35.09 -48.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.413 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 15.5 mt-10 -51.89 -48.56 64.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' GLN . 71.6 m -59.05 -54.01 51.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.202 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.78 HD11 ' HG2' ' A' ' 17' ' ' GLN . 4.9 mp -55.86 -47.34 77.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.475 HD21 HD23 ' A' ' 32' ' ' LEU . 37.1 mt -67.05 -67.03 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -42.74 -42.55 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.46 79.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -61.67 -34.9 76.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.42 35.63 91.31 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -121.4 121.58 28.43 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.586 0.708 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.66 48.65 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.471 ' CB ' ' HG3' ' A' ' 108' ' ' ARG . 6.6 m95 67.91 31.81 5.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 87.5 m -94.92 98.9 11.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.759 ' CB ' HD23 ' A' ' 107' ' ' LEU . 25.2 p90 -90.95 166.26 13.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.588 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.1 pp -167.65 132.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.445 HG21 ' CE3' ' A' ' 8' ' ' TRP . 43.5 t -93.08 130.86 41.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.532 ' HD3' HD11 ' A' ' 32' ' ' LEU . 35.8 ptt85 -143.3 147.63 35.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -71.02 153.76 42.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.55 ' OG ' HG23 ' A' ' 44' ' ' VAL . 67.8 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.894 0.378 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.569 ' CE1' ' CZ ' ' A' ' 74' ' ' TYR . 16.4 m-85 -106.25 171.55 7.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.55 HG23 ' OG ' ' A' ' 36' ' ' SER . 90.7 t -137.89 142.87 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.6 tp -119.75 116.09 25.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.3 m -112.16 139.8 47.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.649 HG11 HG13 ' A' ' 105' ' ' VAL . 73.3 t -140.89 149.03 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.6 tp -104.15 96.68 6.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.6 p -55.31 159.25 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -84.33 2.4 40.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -92.47 110.36 44.38 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.651 0.738 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 148.32 64.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -53.26 -47.63 68.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.8 -46.81 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.047 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.34 -143.88 7.19 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 88.27 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.19 -29.71 1.64 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.486 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.4 p -76.51 154.33 83.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 110.909 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 116.28 4.49 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.329 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.1 mt -41.74 144.48 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -71.34 144.45 49.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 63' ' ' THR . 46.5 t -108.12 153.7 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.418 ' N ' HG12 ' A' ' 62' ' ' VAL . 98.2 m -126.64 104.13 7.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.413 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 60.1 m-70 -90.71 112.39 24.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.402 ' O ' HG13 ' A' ' 44' ' ' VAL . 18.9 mt -113.0 135.78 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -88.32 113.27 23.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.0 t -87.24 104.91 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.478 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 23.0 mtm -73.32 151.5 41.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -105.28 131.54 52.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -115.85 77.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 48.87 53.93 16.12 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.436 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.47 -41.8 2.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -82.93 -179.48 7.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.598 ' CD2' HD22 ' A' ' 85' ' ' LEU . 27.0 m-85 -139.23 136.78 35.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.3 t -133.03 166.94 21.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.199 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 76' ' ' VAL . 23.7 m -129.02 86.46 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.478 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.19 -54.6 2.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.17 179.41 14.56 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.2 mt -85.81 -26.93 25.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -46.36 172.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.4 p -150.67 165.96 31.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 52.5 m-85 -143.4 136.52 27.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -36.41 -52.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -163.88 -179.83 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.598 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.5 mm? -47.66 -29.85 3.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.1 m -66.02 -57.79 6.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.171 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.77 -38.22 87.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.548 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -67.37 -63.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 85' ' ' LEU . 91.4 t -52.27 -58.14 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -46.68 -53.66 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -56.67 -21.5 28.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.403 ' CZ ' HG21 ' A' ' 76' ' ' VAL . 3.6 m-85 -93.77 -30.61 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -63.59 -17.0 62.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.959 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -106.68 -41.08 5.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 73.2 p -84.09 -56.25 3.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.55 160.53 17.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.417 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 65.5 mt -113.23 148.44 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 111.083 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -125.11 130.4 52.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -89.21 146.04 25.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.748 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -48.76 -45.52 39.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.9 m -52.78 -46.86 67.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.65 30.68 0.25 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.33 161.13 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.721 0.296 . . . . 0.0 111.177 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -128.66 105.61 8.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.649 HG13 HG11 ' A' ' 47' ' ' VAL . 70.3 t -83.96 134.04 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.465 ' HB2' ' CD2' ' A' ' 29' ' ' TRP . 18.9 m-85 -120.11 143.31 48.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.759 HD23 ' CB ' ' A' ' 31' ' ' PHE . 2.6 mp -119.05 94.28 4.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.471 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 25.2 mtm180 -89.36 -44.85 9.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -145.06 143.46 20.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.615 0.722 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.436 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.9 Cg_endo -69.71 -166.49 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.749 2.299 . . . . 0.0 112.313 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.461 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 69.9 t80 -142.46 115.96 9.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.436 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.4 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.873 0.368 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -131.8 -174.68 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.748 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 83.8 mt -114.16 -176.13 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.844 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.532 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -119.25 27.23 8.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.78 0.324 . . . . 0.0 110.908 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -103.58 126.32 50.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -109.73 -52.87 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.19 -99.68 2.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 32.5 p-80 -69.25 110.81 4.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.638 ' CE ' HD22 ' A' ' 21' ' ' LEU . 4.4 tpp -170.02 129.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 m -83.96 142.85 30.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 17' ' ' GLN . . . -39.46 -81.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.568 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . . . -36.29 -31.75 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.512 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.734 ' HG2' HD11 ' A' ' 21' ' ' LEU . 19.9 tt0 -61.15 -65.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.566 ' HA ' HD13 ' A' ' 21' ' ' LEU . . . -34.95 -50.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' HG2' HG21 ' A' ' 62' ' ' VAL . 10.4 mt-10 -47.99 -49.76 29.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.5 m -57.89 -58.31 8.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.78 ' H ' HD12 ' A' ' 21' ' ' LEU . 4.3 mp -51.5 -50.39 60.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.868 HD21 HD23 ' A' ' 32' ' ' LEU . 32.0 mt -60.82 -64.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -46.53 -41.93 14.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.89 -33.82 69.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 tptt -66.27 -34.29 77.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.79 12.54 48.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -98.31 121.63 56.37 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.692 0.758 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.19 50.12 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.658 2.239 . . . . 0.0 112.371 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.475 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.8 m95 68.98 35.12 2.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 88.6 m -94.88 97.28 9.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.172 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.775 ' CB ' HD23 ' A' ' 107' ' ' LEU . 20.7 p90 -90.81 157.69 17.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.868 HD23 HD21 ' A' ' 22' ' ' LEU . 2.3 pp -161.9 136.34 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.532 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 6.5 t -98.39 147.39 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.484 ' NH2' HG11 ' A' ' 44' ' ' VAL . 29.0 ptt85 -160.4 147.86 16.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.75 133.99 54.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.813 -179.826 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 3.4 m-85 -120.49 169.13 10.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.484 HG11 ' NH2' ' A' ' 34' ' ' ARG . 40.8 t -134.55 140.42 45.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.8 tp -117.51 117.01 28.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -109.45 141.97 41.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.815 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.71 HG11 HG13 ' A' ' 105' ' ' VAL . 86.8 t -144.07 138.05 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.5 tp -94.25 96.18 9.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.7 p -55.21 160.24 2.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -83.24 1.15 42.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -91.88 114.75 63.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.699 . . . . 0.0 110.947 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 150.03 67.03 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.34 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -57.78 -41.01 81.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -127.52 -45.51 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.61 -146.58 8.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.408 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 91.8 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.44 -31.09 1.95 Allowed Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.9 p -76.71 153.84 83.35 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.631 0.729 . . . . 0.0 110.898 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.67 114.87 3.83 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' PRO . 29.5 mt -37.16 148.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -72.51 145.26 47.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.448 HG21 ' HG2' ' A' ' 19' ' ' GLU . 3.9 t -109.01 141.01 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.404 HG21 HG21 ' A' ' 105' ' ' VAL . 88.3 m -115.4 110.59 19.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -97.68 111.0 23.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.8 mt -114.07 138.07 45.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 147.22 37.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.9 t -123.36 95.95 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.464 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 28.7 mtm -74.31 164.02 27.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 48.0 t -122.69 115.66 22.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -83.99 74.37 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 38.26 66.76 0.58 Allowed Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.509 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.72 -41.77 2.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -101.37 -179.71 4.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.612 ' CD2' HD22 ' A' ' 85' ' ' LEU . 26.6 m-85 -126.36 148.33 49.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.5 t -151.09 167.45 27.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 76' ' ' VAL . 16.8 m -129.24 87.98 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.464 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 73.87 -61.52 2.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.31 -173.28 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.445 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.1 mt -94.19 -21.51 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.736 0.303 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -47.06 169.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.9 p -154.09 159.34 41.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.481 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 50.2 m-85 -141.14 146.63 37.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -44.95 -47.46 11.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.4 p -166.07 -177.1 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.612 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.1 mm? -50.22 -32.08 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.0 m -65.54 -56.75 10.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.54 -35.5 80.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.481 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.2 tt -67.06 -62.76 1.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 85' ' ' LEU . 66.5 t -55.06 -55.86 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.091 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -43.07 -61.54 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -53.56 -23.34 10.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -93.65 -15.98 24.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -74.39 -20.6 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -106.27 -35.05 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.9 p -85.04 -65.55 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.54 147.93 10.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.7 mt -93.33 140.79 15.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 31.1 tt0 -113.4 116.22 29.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 102' ' ' GLY . 39.6 mt-10 -79.64 142.86 35.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -40.37 -58.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.7 p -47.2 -32.33 4.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 132.99 -35.98 2.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.458 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.33 153.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 9.6 m-85 -128.01 118.36 23.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.71 HG13 HG11 ' A' ' 47' ' ' VAL . 55.5 t -90.17 136.37 24.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.475 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 19.3 m-85 -121.49 139.41 53.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.775 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.5 mp -116.26 87.42 2.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.464 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 17.8 mtp180 -82.13 -51.46 7.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -139.84 142.82 32.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.582 0.706 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.419 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.74 -164.37 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.418 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.427 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 86.5 t80 -137.25 111.3 8.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.94 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.419 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 6.0 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.65 173.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 6.4 mp -106.97 -174.05 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.892 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -119.15 25.88 9.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.801 0.334 . . . . 0.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -107.16 122.45 46.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -102.07 -56.03 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.73 -115.45 4.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.434 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -57.07 107.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.777 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.8 tpp -164.27 139.5 5.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.9 m -99.06 145.49 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.47 -62.08 2.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.461 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.52 -25.24 6.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.467 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.88 ' HG2' HD11 ' A' ' 21' ' ' LEU . 18.3 tt0 -73.97 -64.59 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -36.25 -45.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.563 ' HA ' HG21 ' A' ' 62' ' ' VAL . 13.9 mt-10 -53.16 -46.28 68.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 17' ' ' GLN . 65.5 m -63.36 -56.31 17.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.88 HD11 ' HG2' ' A' ' 17' ' ' GLN . 4.8 mp -53.06 -49.59 66.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.738 HD21 HD23 ' A' ' 32' ' ' LEU . 18.3 mt -63.68 -65.4 0.69 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -45.07 -47.7 11.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.99 -32.46 54.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -63.12 -45.54 91.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.54 16.98 80.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.462 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -106.75 120.04 49.53 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.714 0.769 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 143.46 51.11 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.505 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 7.6 m95 70.54 27.52 3.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 83.8 m -89.58 99.48 12.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.721 ' CB ' HD23 ' A' ' 107' ' ' LEU . 16.7 p90 -91.47 163.33 14.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.738 HD23 HD21 ' A' ' 22' ' ' LEU . 1.1 pp -170.91 137.66 1.25 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.4 t -98.54 144.46 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.655 ' HD3' HD11 ' A' ' 32' ' ' LEU . 18.4 ptt85 -156.85 115.06 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' ARG . 1.9 tt0 -34.54 147.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.798 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.816 0.341 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 14.6 m-85 -123.37 175.9 6.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.5 t -142.57 146.75 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 tp -123.98 130.54 52.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -120.23 144.08 47.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.835 HG11 ' CG1' ' A' ' 105' ' ' VAL . 70.1 t -147.43 132.31 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.459 ' CD1' HG22 ' A' ' 62' ' ' VAL . 16.3 tp -89.11 99.73 12.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.5 p -60.14 155.55 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.505 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.9 OUTLIER -79.42 1.4 25.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -98.46 121.55 56.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.565 0.698 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 149.58 66.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.653 2.236 . . . . 0.0 112.379 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -55.51 -56.16 23.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.73 -43.18 4.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.072 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.407 ' HA3' ' HD2' ' A' ' 56' ' ' PRO . . . 170.73 -147.59 10.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.486 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD2' ' HA3' ' A' ' 55' ' ' GLY . 53.2 Cg_endo -69.8 88.01 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.674 2.249 . . . . 0.0 112.325 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 149.74 -30.99 1.12 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.8 p -80.84 154.5 73.13 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.675 0.75 . . . . 0.0 110.84 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 119.81 6.69 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.8 mt -37.94 143.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.29 148.82 50.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.563 HG21 ' HA ' ' A' ' 19' ' ' GLU . 61.6 t -115.98 111.25 34.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.568 HG23 ' OG ' ' B' ' 9' ' ' SER . 98.1 m -79.33 107.31 12.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.527 ' CE1' ' CG1' ' A' ' 62' ' ' VAL . 65.3 m-70 -96.66 116.8 29.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.1 mt -122.42 122.5 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -74.71 118.91 18.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.6 t -89.61 127.74 42.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 50.8 mtm -93.67 169.76 10.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 20.1 t -135.42 124.95 25.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -111.37 99.34 8.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.799 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 46.68 53.29 10.17 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.397 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.29 -42.14 2.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -74.36 175.84 7.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.319 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.666 ' CE2' HD22 ' A' ' 85' ' ' LEU . 42.8 m-85 -128.93 150.01 50.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.5 t -155.71 154.3 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 76' ' ' VAL . 15.6 m -120.07 86.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.097 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.93 21.28 7.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -124.53 154.41 17.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.99 -10.18 57.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.48 -179.93 7.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.1 p -156.27 171.3 20.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 53.7 m-85 -147.34 139.28 24.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -41.64 -54.17 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m -157.28 -177.37 6.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.818 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.666 HD22 ' CE2' ' A' ' 74' ' ' TYR . 4.2 mm? -50.91 -32.81 21.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.7 m -65.52 -53.56 40.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.08 -38.19 90.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.768 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.566 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.4 tt -68.25 -65.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 85' ' ' LEU . 87.8 t -51.03 -55.23 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -46.05 -51.83 13.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -60.62 -22.01 63.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.518 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.8 m-85 -93.58 -17.1 23.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -74.3 -20.19 60.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 pttp -105.1 -39.04 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.8 p -87.07 -60.52 1.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.65 154.67 22.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.414 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.518 HG13 ' CD1' ' A' ' 92' ' ' PHE . 18.0 mt -96.33 145.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.463 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 24.4 tt0 -114.18 102.22 9.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.3 141.7 52.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -44.99 -57.02 4.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.5 m -39.95 -27.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.807 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . 111.06 32.54 2.58 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.473 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -111.21 154.08 24.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.379 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 10.1 m-85 -124.44 107.51 11.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.835 ' CG1' HG11 ' A' ' 47' ' ' VAL . 65.1 t -80.55 141.93 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -124.05 134.45 53.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.721 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.1 mp -111.57 97.46 6.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.443 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 29.6 mtp85 -91.23 -49.97 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -139.89 143.94 36.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.683 0.754 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.439 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.79 -164.1 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -136.09 124.4 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.439 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 7.3 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.938 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.568 ' OG ' HG23 ' A' ' 63' ' ' THR . 12.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.97 176.98 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.744 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 2.4 mp -111.56 -174.88 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.868 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.62 31.14 6.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.717 0.294 . . . . 0.0 110.921 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.44 ' HH ' ' HE2' ' A' ' 43' ' ' PHE . 20.5 t80 -104.06 122.25 44.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -120.95 98.78 6.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.56 151.36 32.47 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 68.33 48.46 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 110.834 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.3 ttp -145.18 118.26 8.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.3 p -82.41 -177.58 6.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.43 ' HA2' ' NH2' ' A' ' 34' ' ' ARG . . . -68.11 -57.21 8.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.499 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -41.29 -38.39 1.92 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.76 ' HG3' HD11 ' A' ' 21' ' ' LEU . 4.7 tp60 -72.46 -58.57 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.32 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.13 -43.33 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.46 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 11.3 mt-10 -53.44 -45.54 69.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.3 m -66.7 -60.04 3.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.76 HD11 ' HG3' ' A' ' 17' ' ' GLN . 5.1 mp -47.52 -35.58 9.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.677 HD21 HD23 ' A' ' 32' ' ' LEU . 30.2 mt -76.71 -59.41 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -50.13 -54.27 21.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.01 -42.39 13.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -59.82 -33.26 71.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.44 24.97 62.28 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -104.0 118.91 55.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.683 0.754 . . . . 0.0 110.823 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 141.55 45.44 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.268 . . . . 0.0 112.388 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.536 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 7.8 m95 68.31 32.83 4.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.413 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 99.0 m -94.31 103.21 15.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.76 ' CB ' HD23 ' A' ' 107' ' ' LEU . 21.5 p90 -93.43 161.24 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.677 HD23 HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -166.56 140.14 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.401 HG11 ' HG ' ' A' ' 85' ' ' LEU . 13.8 t -101.15 152.76 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' NH2' ' HA2' ' A' ' 15' ' ' GLY . 30.8 ptt85 -164.51 118.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -39.7 152.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.78 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.44 ' HE2' ' HH ' ' A' ' 9' ' ' TYR . 68.6 m-85 -136.35 172.16 13.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.3 t -139.04 136.9 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.7 tp -115.74 123.45 48.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.2 m -117.49 142.33 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.782 HG11 HG13 ' A' ' 105' ' ' VAL . 83.8 t -142.38 143.26 26.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 22' ' ' LEU . 22.2 tp -97.17 95.91 8.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.2 p -57.52 148.13 24.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.536 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.5 OUTLIER -71.15 -5.15 29.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -84.28 113.59 49.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.65 0.738 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 148.11 64.29 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -55.66 -46.67 77.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.83 -66.2 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.92 -149.35 5.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 85.91 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.274 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.76 -31.32 1.01 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.6 p -71.13 154.56 93.92 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 115.77 4.25 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.766 2.31 . . . . 0.0 112.321 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.4 mt -38.2 147.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -71.43 151.29 44.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.409 HG21 ' HA ' ' A' ' 19' ' ' GLU . 47.5 t -111.55 145.28 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.45 HG21 HG21 ' A' ' 105' ' ' VAL . 29.6 m -121.53 105.74 10.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.46 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 52.8 m-70 -95.66 111.22 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.0 mt -116.76 121.96 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -67.61 133.22 49.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.2 t -107.23 93.98 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.13 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.44 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 33.4 mtm -57.07 168.82 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 31.7 t -141.16 114.63 8.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -106.8 80.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.13 59.54 9.88 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.38 -43.48 2.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.493 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.499 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 22.3 mtp180 -66.36 171.09 5.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.535 ' CD2' HD22 ' A' ' 85' ' ' LEU . 24.8 m-85 -142.18 142.86 32.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 t -151.75 165.16 35.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 76' ' ' VAL . 29.7 m -124.71 86.37 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.44 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.62 -63.78 2.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.23 170.62 4.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.535 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.7 mt -77.17 -14.28 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -49.26 170.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 p -157.12 165.29 36.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 88' ' ' LEU . 81.1 m-85 -146.7 145.7 30.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.42 -32.13 48.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.461 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 5.4 t -174.84 175.68 2.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.723 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.4 mm? -44.38 -32.98 1.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.9 m -64.58 -59.08 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.434 ' CB ' ' HB3' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -54.03 -39.96 66.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.526 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 9.9 tt -68.24 -59.7 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 85' ' ' LEU . 60.7 t -57.39 -63.58 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -42.19 -55.46 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -59.11 -25.43 63.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 89' ' ' VAL . 2.1 m-85 -93.45 -14.14 27.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.524 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 29.0 mtmt -74.28 -18.18 60.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.451 ' HG3' HG23 ' A' ' 95' ' ' THR . 9.9 pttp -105.88 -44.18 4.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.964 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.451 HG23 ' HG3' ' A' ' 94' ' ' LYS . 44.3 p -82.92 -51.1 7.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.36 170.59 30.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 23.2 mt -115.97 136.31 53.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.778 0.323 . . . . 0.0 111.118 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 54.7 tt0 -104.06 132.66 50.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -99.94 165.78 11.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 101' ' ' SER . . . -68.22 -61.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.062 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' ALA . 1.2 t -35.17 -48.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.02 30.43 0.32 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -114.73 156.21 25.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 10.4 m-85 -124.99 113.89 18.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.918 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.782 HG13 HG11 ' A' ' 47' ' ' VAL . 54.6 t -82.75 131.66 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.518 ' HB2' ' CD2' ' A' ' 29' ' ' TRP . 22.3 m-85 -117.22 133.67 55.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.76 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.3 mp -112.72 74.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.468 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 7.1 mtt180 -75.95 -49.61 17.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -135.76 140.01 32.41 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.59 0.71 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -163.69 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.377 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.455 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 86.6 t80 -134.81 115.86 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.005 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.812 0.339 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.58 -174.17 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.7 mt -121.96 173.38 7.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.905 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.407 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 0.0 OUTLIER -122.75 31.15 6.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 110.947 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -105.3 122.68 46.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -100.18 -53.86 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.796 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.52 -136.21 13.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.432 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 25.9 p-80 -55.4 110.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.5 tpp -161.86 126.94 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.799 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.0 p -81.18 -179.29 7.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.87 -60.5 3.88 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.09 -30.36 3.88 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.721 ' O ' HD12 ' A' ' 21' ' ' LEU . 7.2 tt0 -72.75 -64.58 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.926 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.402 ' HB2' ' NE ' ' A' ' 34' ' ' ARG . . . -39.38 -45.69 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.444 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 20.5 mt-10 -53.19 -46.72 69.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.4 m -61.45 -61.96 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.721 HD12 ' O ' ' A' ' 17' ' ' GLN . 5.0 mp -46.55 -50.56 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.549 HD21 HD23 ' A' ' 32' ' ' LEU . 30.5 mt -59.63 -69.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -41.64 -44.17 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.39 70.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' CG ' ' HB2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -59.48 -36.0 75.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.07 29.97 76.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.506 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.409 ' HB2' ' CG ' ' A' ' 25' ' ' LYS . 15.0 mt-10 -117.69 123.59 29.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.707 0.765 . . . . 0.0 110.86 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 143.25 50.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.766 2.31 . . . . 0.0 112.304 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.559 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.8 m95 67.59 34.76 4.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 92.0 m -97.32 97.17 8.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.554 ' CB ' HD23 ' A' ' 107' ' ' LEU . 29.1 p90 -88.52 165.43 14.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.549 HD23 HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -166.89 129.33 1.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.3 t -92.02 132.32 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.402 ' NE ' ' HB2' ' A' ' 18' ' ' ALA . 42.7 ptt85 -147.22 128.46 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.821 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -43.65 151.33 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.871 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.4 t70 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -131.13 172.72 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.7 t -138.05 151.07 24.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.7 tp -126.29 102.57 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 m -99.1 135.45 40.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.603 HG11 HG13 ' A' ' 105' ' ' VAL . 93.3 t -138.99 143.1 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.425 ' HG ' ' CB ' ' A' ' 60' ' ' LEU . 18.4 tp -98.52 97.09 8.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.2 p -54.43 156.83 3.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.457 ' CB ' ' CZ2' ' A' ' 29' ' ' TRP . 10.4 t70 -81.05 1.23 32.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -94.13 115.35 65.09 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.62 0.724 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 152.03 69.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.314 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -58.16 -41.78 84.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -125.64 -58.83 1.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.79 -148.84 5.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 86.47 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.744 2.296 . . . . 0.0 112.394 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.41 -27.0 1.09 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.523 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 99.2 p -79.21 153.21 76.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.628 0.728 . . . . 0.0 110.92 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.3 Cg_endo -69.71 114.77 3.8 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 59.7 mt -36.57 149.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -73.63 147.38 43.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.431 HG21 ' HA ' ' A' ' 19' ' ' GLU . 18.4 t -109.82 148.47 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.2 m -125.47 117.45 23.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.444 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 74.0 m-70 -99.38 120.19 39.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.791 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 53.8 mt -127.11 112.06 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -69.34 117.47 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.0 t -86.2 106.23 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.0 mtm -68.98 156.91 37.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.2 t -133.65 124.04 26.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -114.12 89.38 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.37 49.77 73.08 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.32 -48.27 1.13 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.539 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -65.58 158.48 27.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.808 ' CE2' HD22 ' A' ' 85' ' ' LEU . 25.6 m-85 -123.65 153.52 40.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.962 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 t -159.12 174.32 15.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 76' ' ' VAL . 35.7 m -140.38 105.56 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.213 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 37.96 26.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.481 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -141.03 147.25 18.86 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.405 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.3 mp -59.88 -27.6 66.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -52.44 174.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.1 p -156.31 169.23 25.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.494 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 85.1 m-85 -149.41 138.77 21.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -41.58 -51.61 3.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.7 p -158.88 176.43 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.808 HD22 ' CE2' ' A' ' 74' ' ' TYR . 2.9 mm? -46.49 -31.54 2.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.1 m -64.77 -54.33 33.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -65.66 -33.24 75.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.494 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.2 tt -70.7 -62.02 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 85' ' ' LEU . 64.7 t -55.14 -59.11 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -42.89 -61.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -54.31 -21.52 9.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -93.7 -18.85 21.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -74.07 -18.81 60.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HG3' HG23 ' A' ' 95' ' ' THR . 11.5 ptpt -106.8 -35.72 6.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.918 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.414 HG23 ' HG3' ' A' ' 94' ' ' LYS . 80.7 p -87.83 -40.45 14.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.26 165.9 41.52 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 76.5 mt -118.14 142.27 33.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.539 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 23.9 tt0 -108.8 142.25 39.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -101.66 151.96 21.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -53.88 -59.09 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.5 m -44.79 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.95 30.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.425 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -110.71 156.0 21.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 8.9 m-85 -127.3 114.05 17.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.603 HG13 HG11 ' A' ' 47' ' ' VAL . 83.8 t -84.72 132.19 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.559 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 23.0 m-85 -120.16 132.93 55.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.554 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.6 mp -109.53 96.59 6.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.469 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 33.0 mtp180 -93.58 -45.57 7.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -143.88 142.88 21.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.619 0.723 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.456 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 54.7 Cg_endo -69.69 -165.75 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.634 2.223 . . . . 0.0 112.433 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.434 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 86.1 t80 -137.8 107.97 6.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.456 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 15.7 m-85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.906 0.384 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.49 -175.0 3.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.601 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 89.9 mt -112.47 -175.37 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 p30 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.902 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.475 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -116.9 18.63 14.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.943 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -92.05 124.37 36.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -102.98 -56.37 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.97 -128.92 9.54 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -50.66 101.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.478 ' SD ' ' HB2' ' A' ' 18' ' ' ALA . 29.5 ttm -163.8 139.8 6.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.1 p -104.15 172.48 6.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.35 -61.33 7.61 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.543 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.36 -43.77 7.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.746 ' HG3' HD11 ' A' ' 21' ' ' LEU . 7.4 tp60 -64.04 -64.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 0.0 110.901 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' HB2' ' SD ' ' A' ' 13' ' ' MET . . . -37.48 -44.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -57.01 -45.83 82.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 17' ' ' GLN . 70.5 m -63.8 -55.1 25.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.746 HD11 ' HG3' ' A' ' 17' ' ' GLN . 5.2 mp -53.52 -37.21 62.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.486 ' HG ' HD23 ' A' ' 32' ' ' LEU . 29.9 mt -76.96 -66.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -44.48 -46.42 9.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.89 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -58.66 -40.33 83.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.35 14.62 71.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.508 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -100.64 121.35 53.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.7 58.0 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.566 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.8 m95 67.09 34.59 4.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 92.0 m -97.51 97.75 9.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.671 ' CB ' HD23 ' A' ' 107' ' ' LEU . 26.6 p90 -88.71 154.68 20.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.723 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -154.89 133.84 12.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.516 HG11 ' HG ' ' A' ' 85' ' ' LEU . 17.1 t -95.93 146.44 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -162.8 142.6 9.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.809 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.62 149.43 27.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.1 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.805 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -122.9 177.18 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.7 t -149.69 150.77 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.471 HD21 HD21 ' A' ' 107' ' ' LEU . 14.0 tp -127.14 119.72 27.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.2 m -105.89 142.29 35.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.625 HG11 ' CG1' ' A' ' 105' ' ' VAL . 84.4 t -140.15 133.72 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.429 ' CD1' HG22 ' A' ' 62' ' ' VAL . 17.6 tp -89.95 96.04 10.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.1 p -61.13 156.41 18.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 6.6 t70 -78.61 2.08 20.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -90.56 115.05 63.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.485 0.659 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 145.5 57.25 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -56.35 -47.05 79.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.22 -60.19 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.81 -146.95 5.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 85.44 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.677 2.251 . . . . 0.0 112.363 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.19 -24.98 1.41 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.3 p -78.46 153.48 78.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.692 0.758 . . . . 0.0 110.826 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 115.03 3.91 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.314 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 44.4 mt -37.25 145.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.006 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -66.25 150.25 49.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.429 HG22 ' CD1' ' A' ' 48' ' ' LEU . 69.1 t -119.99 112.49 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.426 HG22 HG13 ' A' ' 65' ' ' ILE . 88.1 m -85.61 122.87 30.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.189 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -101.77 106.84 17.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.546 HD13 HD13 ' A' ' 97' ' ' ILE . 26.4 mt -112.31 102.07 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -64.4 132.35 49.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.7 t -101.04 112.09 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.473 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 45.7 mtm -80.49 157.1 26.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.7 t -126.33 138.08 53.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -128.77 75.1 1.62 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.3 58.17 5.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.43 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.9 -45.33 2.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -71.39 174.7 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.684 ' CE2' HD22 ' A' ' 85' ' ' LEU . 30.2 m-85 -137.88 141.27 40.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 t -144.16 161.26 39.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.144 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.553 ' HB ' HD21 ' B' ' 11' ' ' LEU . 2.2 m -126.16 86.7 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.473 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 76.59 -56.65 3.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.412 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.44 165.74 31.47 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.7 mt -76.44 -23.13 53.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.344 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -50.09 177.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.8 p -155.34 170.07 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.261 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.513 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 58.3 m-85 -146.54 141.63 27.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -39.54 -54.13 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.43 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 17.2 p -161.67 -178.4 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.684 HD22 ' CE2' ' A' ' 74' ' ' TYR . 4.1 mm? -46.9 -30.8 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.1 m -67.49 -60.63 2.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -57.11 -37.06 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.513 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -68.76 -62.67 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 85' ' ' LEU . 84.1 t -53.73 -58.19 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -44.41 -57.75 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -54.65 -23.91 19.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.562 ' CD1' HG13 ' A' ' 97' ' ' ILE . 4.5 m-85 -93.65 -15.66 25.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -74.83 -19.67 60.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.425 ' HG3' HG23 ' A' ' 95' ' ' THR . 21.6 pttt -105.85 -36.06 7.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.425 HG23 ' HG3' ' A' ' 94' ' ' LYS . 70.9 p -87.95 -56.11 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.04 153.07 25.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.427 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.562 HG13 ' CD1' ' A' ' 92' ' ' PHE . 24.2 mt -101.04 139.5 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.335 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.488 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 51.4 tt0 -111.86 118.58 35.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.487 ' OE2' ' HB3' ' A' ' 103' ' ' ALA . 1.7 mp0 -87.67 135.39 33.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -40.37 -52.92 2.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 m -40.24 -39.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.16 28.84 1.18 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.487 ' HB3' ' OE2' ' A' ' 99' ' ' GLU . . . -112.1 152.01 28.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.488 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.7 m-85 -121.69 106.8 11.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.625 ' CG1' HG11 ' A' ' 47' ' ' VAL . 95.6 t -80.43 128.28 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.117 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.566 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.9 m-85 -113.76 128.34 56.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.671 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.3 mp -105.36 87.37 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.457 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 39.3 mtp180 -81.05 -50.01 10.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -141.94 144.06 30.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.549 0.69 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.542 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.8 Cg_endo -69.79 -164.64 0.13 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.685 2.257 . . . . 0.0 112.32 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.438 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 89.7 t80 -133.98 102.59 5.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.542 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 7.2 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.414 ' HB2' HG23 ' A' ' 63' ' ' THR . 17.0 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.3 177.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.553 HD21 ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -107.41 -174.84 2.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.836 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 t -154.99 124.14 6.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.818 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -85.97 126.6 34.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.78 118.4 0.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.9 p -99.62 98.08 8.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.2 m -86.22 122.67 30.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.58 -124.33 4.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.463 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.616 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -123.26 24.73 8.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.807 0.337 . . . . 0.0 110.915 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' OH ' ' CG ' ' A' ' 35' ' ' GLU . 6.2 t80 -98.01 114.3 26.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -92.59 -57.97 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.28 -127.88 9.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -46.06 119.14 2.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.5 ttm -174.7 150.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.5 m -109.75 152.61 25.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.43 -69.48 0.77 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.457 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.86 -27.12 3.15 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.493 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.742 ' HG2' HD11 ' A' ' 21' ' ' LEU . 26.4 tt0 -68.6 -65.3 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.69 0.281 . . . . 0.0 110.858 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HA ' HD13 ' A' ' 21' ' ' LEU . . . -37.35 -50.45 1.04 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.435 ' HA ' HG21 ' A' ' 62' ' ' VAL . 8.5 mt-10 -46.18 -49.01 17.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.3 m -60.29 -62.84 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.767 ' H ' HD12 ' A' ' 21' ' ' LEU . 4.5 mp -46.45 -47.1 19.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.44 -65.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -45.63 -35.85 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.77 97.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -34.72 67.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.98 29.62 73.08 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.418 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -118.97 123.56 28.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 143.4 50.4 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.741 2.294 . . . . 0.0 112.295 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.505 ' CD2' ' HB2' ' A' ' 106' ' ' TYR . 6.9 m95 67.26 31.06 6.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.6 m -92.33 97.03 10.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.792 ' CB ' HD23 ' A' ' 107' ' ' LEU . 26.3 p90 -88.74 159.08 17.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.831 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.589 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -163.0 130.51 3.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.616 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 17.8 t -91.35 139.9 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.419 ' NH1' HG11 ' A' ' 44' ' ' VAL . 2.9 ptm180 -150.05 148.33 28.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.404 ' CG ' ' OH ' ' A' ' 9' ' ' TYR . 33.2 mt-10 -80.78 125.07 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 39' ' ' GLN . 15.9 m -51.9 -174.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.863 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.4 mt -102.67 116.22 32.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t 42.02 25.99 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.434 ' CB ' ' HB2' ' A' ' 36' ' ' SER . 5.6 tp-100 -81.6 136.02 48.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.561 0.696 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 105.07 1.43 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.656 2.237 . . . . 0.0 112.329 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 40.04 64.1 1.16 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.468 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.556 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 13.5 t70 -139.62 165.98 25.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.849 0.356 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 42' ' ' ASP . 3.6 m-85 -145.82 176.09 9.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.419 HG11 ' NH1' ' A' ' 34' ' ' ARG . 74.6 t -145.84 136.68 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.8 tp -111.47 97.16 6.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.0 m -87.47 138.36 31.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.693 HG11 ' CG1' ' A' ' 105' ' ' VAL . 71.8 t -143.25 133.85 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.166 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.0 tp -89.62 96.11 10.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.6 p -58.01 152.57 16.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.414 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 20.2 t70 -77.18 1.23 18.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.954 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -90.85 112.54 54.01 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.529 0.681 . . . . 0.0 110.923 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.52 68.18 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -57.91 -45.19 86.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.932 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.75 -72.91 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -147.72 -154.31 6.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 83.75 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.712 2.275 . . . . 0.0 112.361 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.58 -26.24 0.52 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -76.06 155.78 84.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.675 0.75 . . . . 0.0 110.842 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 114.43 3.71 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.63 2.22 . . . . 0.0 112.331 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.1 mt -39.05 146.38 0.08 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -70.04 153.94 42.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.435 HG21 ' HA ' ' A' ' 19' ' ' GLU . 4.6 t -117.29 124.52 73.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.607 HG21 HG21 ' A' ' 105' ' ' VAL . 53.2 m -95.52 108.48 20.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -96.79 114.51 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.9 mt -123.44 122.69 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.468 ' HG3' ' CE2' ' B' ' 8' ' ' PTR . 37.4 mttt -74.6 125.73 29.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 50.3 t -100.73 101.5 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.8 mtm -66.73 169.91 7.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.7 t -136.0 132.08 35.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -122.15 87.99 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.77 52.13 54.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.78 -38.66 3.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.499 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -75.4 174.67 9.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.527 ' CD2' HD22 ' A' ' 85' ' ' LEU . 29.4 m-85 -138.13 148.18 44.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 t -148.3 160.48 42.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 76' ' ' VAL . 34.9 m -125.77 91.13 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 48.65 18.24 0.96 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.443 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.486 ' HA3' HD22 ' B' ' 13' ' ' LEU . . . -124.22 163.54 17.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.462 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 76.7 mt -76.21 -20.43 57.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.26 169.45 15.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.7 p -145.56 172.77 12.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.492 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 78.3 m-85 -148.79 135.9 20.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.05 -52.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.481 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 7.1 t -162.02 178.14 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.579 ' O ' HG23 ' A' ' 89' ' ' VAL . 3.4 mm? -45.76 -30.49 1.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.0 m -65.24 -59.71 3.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -60.76 -38.43 85.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.492 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 8.6 tt -65.7 -65.59 0.66 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 85' ' ' LEU . 91.9 t -50.49 -57.7 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -44.74 -55.61 5.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -57.01 -22.49 39.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.586 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.9 m-85 -93.8 -24.05 17.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -67.99 -17.52 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.507 ' HG3' HG23 ' A' ' 95' ' ' THR . 3.0 ptpt -104.81 -32.87 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.974 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.507 HG23 ' HG3' ' A' ' 94' ' ' LYS . 45.2 p -98.29 -69.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.413 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . 118.21 156.96 10.4 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.586 HG13 ' CD1' ' A' ' 92' ' ' PHE . 21.1 mt -99.42 137.99 25.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.738 0.304 . . . . 0.0 111.176 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.592 ' OE1' ' CD1' ' A' ' 104' ' ' PHE . 4.6 tp10 -102.33 128.98 48.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 102' ' ' GLY . 19.4 mt-10 -97.08 128.95 44.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -34.17 -40.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.0 m -54.15 -48.11 71.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.825 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 133.84 29.2 0.47 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.494 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -116.91 150.05 39.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.352 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.592 ' CD1' ' OE1' ' A' ' 98' ' ' GLU . 10.2 m-85 -118.46 108.36 14.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.693 ' CG1' HG11 ' A' ' 47' ' ' VAL . 77.9 t -73.74 136.16 25.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.187 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.505 ' HB2' ' CD2' ' A' ' 29' ' ' TRP . 18.8 m-85 -117.55 141.46 48.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.792 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.4 mp -122.44 90.63 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.469 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 33.3 mtp85 -85.49 -43.78 13.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -144.44 141.66 18.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 54.0 Cg_endo -69.68 -164.71 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.349 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -130.09 111.25 12.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.517 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 16.9 m-85 -95.46 147.42 23.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.4 t -110.66 89.93 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 156.14 88.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.524 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 171.44 14.45 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.623 2.216 . . . . 0.0 112.396 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.1 m -106.51 -49.4 3.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.0 m -82.15 169.41 16.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.501 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 36.7 mtm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.764 0.316 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -137.11 147.93 46.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -66.7 84.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -48.65 -42.52 34.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 174.93 -159.56 28.1 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 16.0 m -139.67 138.73 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.444 HG22 ' N ' ' B' ' 8' ' ' PTR . 8.3 mm -66.23 155.76 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.468 ' CE2' ' HG3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -46.75 110.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.539 ' O ' HD12 ' B' ' 11' ' ' LEU . 3.3 m-20 -50.33 178.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.628 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 3.2 mp -124.39 -174.33 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.423 ' C ' ' HD2' ' B' ' 14' ' ' PRO . 0.5 OUTLIER -93.91 -61.88 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.602 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -36.71 -53.43 1.83 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.61 0.719 . . . . 0.0 110.949 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.3 Cg_endo -69.77 152.2 69.19 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.212 0 C-N-CA 122.692 2.261 . . . . 0.0 112.336 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -97.41 103.91 15.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 110.888 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -76.59 91.35 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.813 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.49 -162.18 4.12 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.557 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -80.4 177.12 9.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.95 0.405 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 m -119.04 -56.18 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.926 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.1 -138.08 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.544 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -115.02 27.29 9.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.775 0.321 . . . . 0.0 110.892 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -105.6 125.1 50.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -108.48 -61.92 1.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 12' ' ' HIS . . . 85.59 167.36 43.3 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.468 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 11' ' ' GLY . 10.5 m80 36.98 47.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.6 ttm -130.28 137.9 50.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 p -95.47 179.36 5.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.94 -61.29 4.1 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.5 -29.65 1.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.511 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.823 ' HG3' HD11 ' A' ' 21' ' ' LEU . 32.4 tp60 -72.7 -64.7 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -38.63 -43.21 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.426 ' HA ' HG21 ' A' ' 62' ' ' VAL . 6.7 mt-10 -54.59 -45.6 73.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 78.5 m -64.43 -56.04 16.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.823 HD11 ' HG3' ' A' ' 17' ' ' GLN . 4.9 mp -53.92 -52.48 60.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.495 ' CG ' HD23 ' A' ' 32' ' ' LEU . 30.6 mt -59.0 -62.53 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -47.8 -49.1 29.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.74 -41.74 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -55.34 -35.39 65.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.65 28.61 71.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -116.17 121.92 32.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 143.22 50.03 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.351 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.53 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.1 m95 70.42 28.11 3.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.2 m -90.28 99.4 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.565 ' CB ' HD23 ' A' ' 107' ' ' LEU . 21.4 p90 -91.71 162.76 14.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.495 HD23 ' CG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -163.56 137.34 5.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.588 HG11 ' HG ' ' A' ' 85' ' ' LEU . 21.8 t -98.31 136.79 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.605 ' NH2' HG11 ' A' ' 44' ' ' VAL . 48.4 ptt85 -148.85 164.25 35.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -96.59 166.29 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.2 t -108.37 113.62 26.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 mt -46.42 -63.19 1.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.8 m -50.61 -51.08 52.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -105.19 91.63 4.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.596 0.712 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 3.71 2.61 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.416 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.3 -29.67 3.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.87 171.04 10.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.427 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 8.9 m-85 -129.66 175.29 8.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.605 HG11 ' NH2' ' A' ' 34' ' ' ARG . 24.8 t -148.78 143.84 18.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.4 tp -119.87 117.66 28.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 m -107.87 145.18 34.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.615 HG11 ' CG1' ' A' ' 105' ' ' VAL . 97.0 t -146.75 141.89 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.498 ' CD1' HG22 ' A' ' 62' ' ' VAL . 16.9 tp -98.74 97.93 9.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 p -60.2 150.47 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -72.29 -4.99 32.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.889 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 44.6 mt-30 -84.27 112.33 40.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.587 0.708 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 51' ' ' GLN . 54.3 Cg_endo -69.82 147.43 62.47 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 5.9 mtpm? -54.83 -57.24 12.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.62 -45.99 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.99 -147.75 9.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 88.22 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.296 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.5 -30.05 1.3 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.529 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 p -79.18 155.3 77.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.685 0.755 . . . . 0.0 110.859 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 114.64 3.76 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.752 2.301 . . . . 0.0 112.327 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.9 mt -37.31 149.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.5 tpt85 -69.63 147.48 50.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.498 HG22 ' CD1' ' A' ' 48' ' ' LEU . 42.1 t -115.4 125.5 72.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.7 m -99.45 117.83 34.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -105.85 114.68 28.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.592 HD13 HG21 ' A' ' 97' ' ' ILE . 16.1 mt -118.43 131.38 71.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -72.39 141.59 48.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.0 t -115.42 99.36 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.431 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 29.4 mtm -71.7 157.9 37.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 46.7 t -116.5 115.13 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -101.89 88.72 3.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 49.98 69.33 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.07 -34.63 2.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -81.35 -178.27 6.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.663 ' CD2' HD22 ' A' ' 85' ' ' LEU . 27.4 m-85 -140.11 147.14 39.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.6 t -152.06 163.33 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 76' ' ' VAL . 9.2 m -126.36 86.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.093 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.431 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 81.74 -76.05 2.24 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.475 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.766 ' H ' HD12 ' B' ' 13' ' ' LEU . . . -47.75 176.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.9 mt -84.65 -17.65 37.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.829 0.347 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.431 ' O ' ' CG2' ' A' ' 81' ' ' THR . 17.8 mt-10 -46.34 172.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 80.7 p -158.87 153.01 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.509 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 64.4 m-85 -134.09 140.46 46.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -45.81 -33.26 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.9 m -172.97 -177.6 1.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.663 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.7 mm? -52.06 -28.33 16.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.9 m -66.07 -58.68 4.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.455 ' CB ' ' HB3' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -58.4 -35.01 71.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.509 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.2 tt -69.9 -59.83 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 85' ' ' LEU . 65.7 t -58.32 -61.73 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -43.56 -54.94 4.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -61.01 -22.89 64.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 89' ' ' VAL . 4.4 m-85 -93.7 -15.27 25.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -74.31 -16.59 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.475 ' HG3' HG23 ' A' ' 95' ' ' THR . 24.5 pttt -106.33 -37.47 6.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.475 HG23 ' HG3' ' A' ' 94' ' ' LYS . 72.9 p -90.09 -45.39 9.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.36 169.18 40.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.592 HG21 HD13 ' A' ' 65' ' ' ILE . 20.7 mt -110.54 136.11 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.158 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.545 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 25.1 tt0 -105.62 111.48 24.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 102' ' ' GLY . 77.8 mt-10 -69.91 137.5 51.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 99' ' ' GLU . . . -34.33 -58.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -47.7 -43.27 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 146.53 -35.24 1.33 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.458 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.39 152.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 0.0 111.109 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.9 m-85 -125.05 120.54 31.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.813 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.615 ' CG1' HG11 ' A' ' 47' ' ' VAL . 98.2 t -90.46 136.51 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.53 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.1 m-85 -119.88 133.12 55.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.565 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.1 mp -111.51 90.3 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -85.82 -48.65 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.2 pm0 -142.59 142.2 22.5 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.548 0.69 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 53.6 Cg_endo -69.76 -164.17 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 77.5 t80 -130.67 125.04 32.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.983 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -107.24 157.36 17.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.3 p -106.07 121.42 44.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -166.69 -93.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 168.2 22.19 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.3 t -128.21 167.83 16.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.1 m -156.78 142.64 17.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.449 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mmt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.71 0.29 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.37 116.71 13.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -103.27 116.9 33.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -115.84 111.1 19.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.32 -141.81 15.8 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -124.78 145.54 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 111.156 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 mm -73.06 148.2 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.1 m -63.46 105.95 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.66 -177.43 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.81 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.479 ' CD1' ' N ' ' B' ' 11' ' ' LEU . 0.4 OUTLIER -113.91 172.49 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' B' ' 13' ' ' LEU . 0.3 OUTLIER -83.41 -36.65 24.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.766 HD12 ' H ' ' A' ' 78' ' ' GLY . 0.2 OUTLIER -35.22 -54.37 1.12 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.614 0.721 . . . . 0.0 110.939 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.5 Cg_endo -69.77 160.2 50.58 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.708 2.272 . . . . 0.0 112.371 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.177 0 C-N-CA 122.674 2.249 . . . . 0.0 112.298 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.9 p -116.85 111.31 19.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -147.39 158.14 43.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.14 -136.45 5.86 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -104.19 101.8 11.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 110.936 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -74.21 -42.78 59.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.89 -125.82 2.12 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.526 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.473 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -116.22 25.43 10.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.713 0.292 . . . . 0.0 110.829 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -97.18 121.78 39.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.546 ' CD2' HD13 ' A' ' 32' ' ' LEU . 54.5 m-70 -97.41 -53.04 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.99 -106.79 3.43 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.415 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 1.1 p80 -69.43 107.38 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.2 ttp -175.12 131.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.2 m -84.84 -178.6 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.797 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 17' ' ' GLN . . . -70.35 -73.03 0.81 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.39 -26.38 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.543 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.802 ' HG2' HD11 ' A' ' 21' ' ' LEU . 19.6 tt0 -67.23 -65.97 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -37.98 -39.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.442 ' HG2' HG21 ' A' ' 62' ' ' VAL . 10.0 mt-10 -58.25 -43.27 87.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' GLN . 70.5 m -68.48 -44.99 73.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.802 HD11 ' HG2' ' A' ' 17' ' ' GLN . 5.1 mp -64.81 -37.97 89.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.664 HD21 HD23 ' A' ' 32' ' ' LEU . 61.9 mt -76.64 -56.91 4.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.433 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 90.9 mt-30 -53.65 -44.28 69.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.86 -39.27 71.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -61.71 -41.22 97.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.89 24.11 76.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -108.6 122.4 40.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 143.91 52.31 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.556 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.8 m95 67.15 36.47 4.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 99.0 m -99.86 96.68 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.166 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.66 ' CB ' HG22 ' A' ' 47' ' ' VAL . 14.1 p90 -92.15 164.82 13.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.833 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.664 HD23 HD21 ' A' ' 22' ' ' LEU . 1.8 pp -166.76 137.89 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.473 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 59.7 t -93.6 142.0 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -158.82 147.3 18.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -80.11 158.46 26.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t -98.51 164.91 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 37' ' ' LEU . 4.4 mp -109.54 -47.4 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.4 t -67.43 -62.64 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -68.01 122.16 82.79 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.619 0.723 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 113.62 3.43 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.71 2.273 . . . . 0.0 112.403 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.86 54.24 34.93 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.423 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.33 127.94 36.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.448 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 43.5 m-85 -90.94 155.76 18.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 65' ' ' ILE . 21.2 t -133.79 144.82 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.5 tp -119.06 108.33 14.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.6 m -103.15 134.38 46.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.66 HG22 ' CB ' ' A' ' 31' ' ' PHE . 85.3 t -136.75 143.59 34.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.426 ' CD1' HG22 ' A' ' 62' ' ' VAL . 17.5 tp -98.96 98.92 9.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.4 p -60.15 155.2 17.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.531 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.7 OUTLIER -75.89 -0.49 21.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -90.29 115.67 64.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.537 0.684 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 150.84 68.89 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.655 2.237 . . . . 0.0 112.357 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -57.43 -50.69 72.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.25 -45.93 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.055 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.77 -145.99 7.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 93.02 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.642 2.228 . . . . 0.0 112.322 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 140.96 -31.59 2.18 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.8 p -75.86 153.76 85.01 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.701 0.762 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.433 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.72 115.73 4.22 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.72 2.28 . . . . 0.0 112.384 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 59' ' ' PRO . 46.3 mt -35.62 153.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 -74.79 145.48 42.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.442 HG21 ' HG2' ' A' ' 19' ' ' GLU . 21.4 t -112.09 135.95 49.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 65.1 m -111.27 108.36 17.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.411 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 75.7 m-70 -91.98 119.74 31.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.519 ' O ' HG13 ' A' ' 44' ' ' VAL . 37.5 mt -118.27 129.01 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' CG ' ' HD2' ' B' ' 8' ' ' PTR . 33.3 mtmt -85.4 104.09 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.9 t -79.02 115.03 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.413 ' HE3' ' H ' ' A' ' 77' ' ' GLY . 25.7 mtm -86.49 149.62 24.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.3 t -111.46 120.06 40.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -108.82 84.92 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.29 54.11 36.98 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.98 -36.4 3.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -80.37 166.65 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.697 ' CD2' HD22 ' A' ' 85' ' ' LEU . 24.1 m-85 -121.6 139.92 52.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.988 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.6 t -139.97 148.07 41.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 76' ' ' VAL . 30.0 m -112.62 88.04 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.413 ' H ' ' HE3' ' A' ' 68' ' ' MET . . . 46.94 28.43 3.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -133.77 160.69 24.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.24 -19.27 62.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.46 177.62 3.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.7 p -151.03 171.33 17.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 84.0 m-85 -148.39 127.72 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 82' ' ' PHE . 3.4 m-20 -34.44 -55.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.443 ' HA ' ' CE2' ' A' ' 74' ' ' TYR . 6.9 t -153.61 -175.3 5.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.697 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.4 mm? -54.49 -33.76 60.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.9 m -60.98 -56.84 16.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.22 -44.22 95.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.893 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.9 tt -63.6 -65.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 85' ' ' LEU . 96.5 t -50.7 -58.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -45.51 -56.42 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -56.24 -21.34 22.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.548 ' HD2' HD23 ' A' ' 88' ' ' LEU . 4.6 m-85 -93.79 -24.19 17.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -67.21 -20.71 65.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.453 ' HG3' HG23 ' A' ' 95' ' ' THR . 7.1 pttp -104.73 -41.0 5.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.453 HG23 ' HG3' ' A' ' 94' ' ' LYS . 68.1 p -82.16 -55.0 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.33 162.61 21.72 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.46 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.502 HG13 ' CD1' ' A' ' 92' ' ' PHE . 46.3 mt -116.39 133.1 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.552 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 17.9 tt0 -104.92 133.64 49.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -95.08 143.15 26.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -38.01 -65.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.7 p -41.5 -37.11 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.13 -32.54 2.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.43 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.85 154.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.1 m-85 -126.66 120.25 29.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.65 ' CG1' HG11 ' A' ' 47' ' ' VAL . 93.6 t -92.28 134.66 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.556 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.7 m-85 -121.92 137.11 54.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.645 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.7 mp -113.28 99.96 8.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.826 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.463 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 37.4 mtp180 -96.77 -45.38 6.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -143.54 143.5 24.06 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.548 0.69 . . . . 0.0 110.956 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -164.08 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.472 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 91.2 t80 -141.89 109.88 5.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -95.27 123.44 38.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 97.6 p -44.99 167.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.8 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.34 86.21 0.83 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -40.72 4.92 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 117' ' ' SER . 10.7 t -136.44 155.14 50.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 116' ' ' SER . 1.5 t -34.64 101.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.089 -0.839 . . . . 0.0 112.481 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ttt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -171.91 123.21 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.81 105.59 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -118.15 -27.58 6.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -126.19 -162.83 11.38 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 32.9 m -119.53 144.3 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 mm -75.74 144.1 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.411 ' HD2' ' CG ' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 68.4 m -48.05 169.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.83 -175.09 3.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.462 HD21 ' CG2' ' A' ' 97' ' ' ILE . 63.2 mt -111.68 -175.14 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.414 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 1.0 OUTLIER -80.84 -46.39 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.627 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -47.21 -52.27 36.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.9 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.9 Cg_endo -69.76 148.32 64.84 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.643 2.229 . . . . 0.0 112.356 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.148 0 C-N-CA 122.701 2.267 . . . . 0.0 112.315 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.2 p -61.07 170.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 0.0 110.842 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.3 p -74.41 -54.65 7.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.79 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.5 146.12 5.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -78.96 137.81 37.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 110.855 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 m -110.62 -53.3 2.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.5 -141.34 16.04 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.68 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -115.05 26.91 9.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 0.0 110.943 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -106.91 99.15 8.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.453 ' CE1' ' HB3' ' A' ' 113' ' ' SER . 35.3 m-70 -71.86 -60.47 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.3 -114.94 2.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.513 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 3.3 p80 -76.35 119.95 20.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 110.84 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.459 ' HG2' ' N ' ' A' ' 14' ' ' SER . 35.5 ttm -173.49 149.83 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.459 ' N ' ' HG2' ' A' ' 13' ' ' MET . 6.7 p -108.18 159.15 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -49.06 -60.53 6.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.4 -36.44 2.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.533 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.731 ' HG3' HD11 ' A' ' 21' ' ' LEU . 11.5 tp60 -71.22 -64.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -38.28 -44.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.481 ' HA ' HG21 ' A' ' 62' ' ' VAL . 8.6 mt-10 -55.72 -46.1 77.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.1 m -63.19 -50.99 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.731 HD11 ' HG3' ' A' ' 17' ' ' GLN . 5.2 mp -58.28 -47.11 84.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.462 HD21 HD23 ' A' ' 32' ' ' LEU . 35.2 mt -64.58 -58.12 7.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -53.28 -36.06 60.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.67 -32.29 73.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -66.49 -41.98 88.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.801 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.33 3.03 60.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -90.12 118.83 69.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 142.04 46.92 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.481 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.3 m95 73.58 26.57 1.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.1 m -89.01 100.38 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.793 ' CB ' HD23 ' A' ' 107' ' ' LEU . 18.4 p90 -93.49 152.48 19.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -156.23 134.89 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.68 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 17.1 t -92.71 141.54 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -150.08 162.01 41.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -94.11 138.97 31.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.6 t -79.92 153.98 28.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.8 mt -96.87 -41.67 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.1 m -61.11 -55.92 26.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -100.24 105.11 34.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.568 0.699 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 3.59 2.7 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.635 2.224 . . . . 0.0 112.316 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.14 31.05 2.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.46 160.93 39.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.864 0.364 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.519 ' CZ ' ' OH ' ' A' ' 74' ' ' TYR . 6.0 m-85 -118.24 171.48 8.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.3 t -145.44 141.79 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 tp -116.71 122.04 43.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -107.49 148.59 28.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.791 HG11 ' CG1' ' A' ' 105' ' ' VAL . 74.0 t -152.37 133.23 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 22' ' ' LEU . 18.1 tp -91.2 96.89 10.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 p -57.18 152.24 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.479 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 14.4 t70 -77.51 1.19 20.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -96.47 121.04 61.11 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.555 0.693 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 147.62 63.69 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.383 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -54.74 -45.42 74.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.42 -49.01 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.044 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.408 ' HA3' ' HD2' ' A' ' 56' ' ' PRO . . . 176.82 -148.12 8.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.408 ' HD2' ' HA3' ' A' ' 55' ' ' GLY . 53.2 Cg_endo -69.77 86.24 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.3 -27.5 1.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.53 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.1 p -82.59 153.47 67.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.683 0.754 . . . . 0.0 110.816 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.0 Cg_endo -69.76 116.25 4.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' PRO . 57.9 mt -33.94 146.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -73.42 147.17 44.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.481 HG21 ' HA ' ' A' ' 19' ' ' GLU . 60.9 t -112.48 117.74 56.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.478 HG21 HG21 ' A' ' 105' ' ' VAL . 96.0 m -88.98 109.83 20.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -99.3 109.29 21.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.427 HD13 HD13 ' A' ' 97' ' ' ILE . 18.3 mt -111.28 128.25 67.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.532 ' HG3' ' CD1' ' B' ' 8' ' ' PTR . 6.4 mtmp? -72.59 134.56 45.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.2 t -109.88 94.29 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.482 ' HE3' ' H ' ' A' ' 77' ' ' GLY . 28.7 mtm -73.17 165.27 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 33.4 t -122.6 126.58 48.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -129.06 118.45 22.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.45 27.9 68.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.06 -19.59 52.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.416 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.431 ' CB ' ' HB ' ' A' ' 81' ' ' THR . 1.7 mpt_? -88.96 -178.38 5.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.706 ' CD2' HD22 ' A' ' 85' ' ' LEU . 31.7 m-85 -120.63 143.98 48.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -142.87 169.76 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 76' ' ' VAL . 9.6 m -134.64 88.88 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.482 ' H ' ' HE3' ' A' ' 68' ' ' MET . . . 53.37 20.1 9.93 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.508 ' HA3' HD22 ' B' ' 13' ' ' LEU . . . -132.62 165.47 23.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.553 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.7 mt -76.6 -15.83 59.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.736 0.303 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -67.6 168.52 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.431 ' HB ' ' CB ' ' A' ' 73' ' ' ARG . 65.6 p -151.62 158.26 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 60.0 m-85 -135.11 131.66 37.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 82' ' ' PHE . 2.0 m-20 -34.27 -43.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.485 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 3.1 m -166.63 176.99 6.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.706 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.1 mm? -45.13 -29.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.0 m -67.11 -57.11 7.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.81 -29.56 68.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.542 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 8.4 tt -77.06 -64.85 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.652 HG11 ' CE2' ' A' ' 31' ' ' PHE . 96.8 t -53.1 -58.0 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -44.9 -57.99 3.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -54.23 -22.14 10.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.496 ' CD1' HG13 ' A' ' 97' ' ' ILE . 2.6 m-85 -93.56 -21.0 19.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.4 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 35.3 mtmt -71.92 -15.32 62.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.553 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.0 pttt -106.23 -36.68 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.553 HG23 ' HG3' ' A' ' 94' ' ' LYS . 72.3 p -95.24 -63.0 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.51 158.6 16.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.541 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.496 HG13 ' CD1' ' A' ' 92' ' ' PHE . 22.1 mt -99.59 146.32 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 111.181 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 29.7 tt0 -119.0 111.53 18.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -78.36 136.96 37.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -43.0 -55.72 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 100' ' ' ALA . 1.7 t -37.04 -48.79 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.09 29.92 0.33 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -114.72 155.62 26.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.52 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 10.5 m-85 -124.81 117.14 23.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.791 ' CG1' HG11 ' A' ' 47' ' ' VAL . 85.1 t -88.19 136.98 21.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.481 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 20.0 m-85 -121.07 143.42 49.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.793 HD23 ' CB ' ' A' ' 31' ' ' PHE . 2.4 mp -121.86 93.28 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.456 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 22.2 mtp85 -88.39 -49.03 7.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -140.37 143.48 33.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.72 . . . . 0.0 110.962 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.507 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.82 -166.79 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -132.03 112.11 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.507 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.3 m-85 -96.47 119.3 34.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.453 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 4.9 p -71.17 -48.28 52.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 68.63 77.4 0.38 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.51 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 107.8 1.93 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.78 2.32 . . . . 0.0 112.308 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.7 t -98.02 -53.13 3.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.5 t -99.27 97.12 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.434 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.0 tpp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.782 0.325 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.94 -65.07 1.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -48.65 151.19 1.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.446 ' N ' ' CD ' ' B' ' 4' ' ' GLN . 0.0 OUTLIER -133.37 154.69 50.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.29 140.6 10.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.1 m -91.77 146.98 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.792 0.33 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.482 HG22 ' N ' ' B' ' 8' ' ' PTR . 9.7 mm -68.98 158.36 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.532 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.469 ' HB2' HG23 ' A' ' 63' ' ' THR . 3.1 m -50.39 112.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.83 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.497 ' O ' HD12 ' B' ' 11' ' ' LEU . 1.5 m-20 -61.65 -179.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 2.6 mp -119.53 -174.28 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.524 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 1.4 p-10 -79.37 -54.84 5.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.66 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -42.83 -51.3 12.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.906 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.66 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.5 Cg_endo -69.79 154.87 67.1 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.742 2.294 . . . . 0.0 112.342 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 t -51.23 151.65 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.927 0.394 . . . . 0.0 110.831 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 p -142.53 145.21 33.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.99 -74.18 1.28 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 m 39.99 47.2 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.908 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -79.11 -65.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.62 -113.52 3.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.55 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -114.42 28.64 8.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.75 0.31 . . . . 0.0 110.93 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -104.86 110.23 22.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -85.54 -53.24 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.2 -92.17 1.08 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -75.11 97.91 3.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 110.816 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.6 ttm -153.74 152.82 31.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.4 m -120.44 155.76 32.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.75 -69.29 0.89 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.538 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.51 -30.26 3.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.781 ' HG2' HD11 ' A' ' 21' ' ' LEU . 6.8 tt0 -72.63 -65.34 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 110.963 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -35.69 -46.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.459 ' HA ' HG21 ' A' ' 62' ' ' VAL . 25.0 mt-10 -57.11 -47.18 81.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' GLN . 91.4 m -60.05 -47.44 85.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.781 HD11 ' HG2' ' A' ' 17' ' ' GLN . 5.2 mp -61.18 -47.09 87.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.421 HD13 HG13 ' A' ' 62' ' ' VAL . 44.0 mt -66.47 -63.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.416 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 95.2 mt-30 -48.2 -47.91 35.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.46 -42.65 74.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -55.63 -34.89 65.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.97 22.2 64.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -108.53 120.59 45.94 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.635 0.731 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 143.36 50.31 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.566 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.8 m95 69.07 32.99 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 85.2 m -97.11 97.26 9.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.683 ' CB ' HG22 ' A' ' 47' ' ' VAL . 26.8 p90 -91.55 155.5 18.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.525 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -158.93 129.8 6.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.55 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 6.0 t -88.81 143.02 12.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.059 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -153.74 124.89 7.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -39.82 160.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.42 ' HB2' ' C ' ' A' ' 42' ' ' ASP . 1.1 t -100.99 105.35 16.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.4 mt -58.61 -59.37 5.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.9 t -42.22 -71.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.83 119.96 68.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.657 0.741 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 104.68 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.84 -27.5 6.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.55 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.42 ' C ' ' HB2' ' A' ' 36' ' ' SER . 23.3 t70 -72.68 166.58 22.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -130.86 172.29 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.5 t -144.76 145.58 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.637 HD21 HD21 ' A' ' 107' ' ' LEU . 15.5 tp -118.61 90.19 3.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 t -84.63 136.41 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.83 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.683 HG22 ' CB ' ' A' ' 31' ' ' PHE . 74.9 t -140.05 140.7 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.415 HD22 ' O ' ' A' ' 22' ' ' LEU . 23.3 tp -95.26 96.14 8.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 p -59.21 144.59 45.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.553 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.5 OUTLIER -68.17 -3.5 10.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -87.62 115.91 64.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.516 0.674 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 150.72 68.65 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.33 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -59.49 -46.17 89.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.09 -48.97 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.01 -148.62 9.02 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.495 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 83.15 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.71 -24.97 0.74 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.427 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.5 p -84.6 153.2 61.29 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 60' ' ' LEU . 53.8 Cg_endo -69.72 114.1 3.59 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.3 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 59' ' ' PRO . 83.6 mt -34.52 147.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -70.04 146.27 51.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.459 HG21 ' HA ' ' A' ' 19' ' ' GLU . 59.3 t -113.34 115.16 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.514 HG21 HG21 ' A' ' 105' ' ' VAL . 78.6 m -85.82 121.64 28.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -107.58 106.52 16.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.7 mt -114.28 125.2 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.512 ' HG3' ' CD2' ' B' ' 8' ' ' PTR . 36.9 mtpt -78.3 136.14 37.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.952 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 74' ' ' TYR . 21.4 t -108.46 99.31 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.454 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 20.5 mtm -67.54 151.1 47.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.2 t -131.58 115.84 16.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -112.65 103.89 11.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.91 -42.45 2.7 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 174.72 -26.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -79.95 164.79 23.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.371 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.633 ' CD2' HD22 ' A' ' 85' ' ' LEU . 28.5 m-85 -118.35 141.98 47.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.1 t -147.72 156.58 42.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 76' ' ' VAL . 8.2 m -121.39 87.55 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.454 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 50.64 23.77 7.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.489 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.24 158.93 21.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 23.5 mt -71.91 -17.01 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 81' ' ' THR . 9.6 mt-10 -67.54 178.96 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 64.0 p -160.13 158.12 29.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 63.8 m-85 -138.88 145.56 40.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.26 -51.95 30.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.504 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 3.2 m -158.04 179.22 9.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.633 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.4 mm? -47.72 -33.42 6.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.7 m -65.1 -55.03 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -62.02 -37.19 83.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.505 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.7 tt -70.57 -65.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 85' ' ' LEU . 72.4 t -48.81 -57.75 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -44.94 -55.42 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -58.01 -21.6 45.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.453 ' HD2' HD23 ' A' ' 88' ' ' LEU . 4.0 m-85 -93.64 -24.52 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -66.54 -17.8 65.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HG3' HG23 ' A' ' 95' ' ' THR . 12.2 ptpt -106.43 -37.08 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.473 HG23 ' HG3' ' A' ' 94' ' ' LYS . 65.0 p -90.12 -59.99 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.59 155.89 23.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.578 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 22.9 mt -98.83 143.78 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.731 0.3 . . . . 0.0 111.149 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.416 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 26.8 tt0 -113.45 111.34 21.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -78.58 137.45 37.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -38.68 -55.87 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.4 p -40.9 -39.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 126.36 21.55 1.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -99.5 156.56 16.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 111.084 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.416 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 9.9 m-85 -127.73 103.75 7.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.679 ' CG1' HG11 ' A' ' 47' ' ' VAL . 90.0 t -76.29 136.57 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.566 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.5 m-85 -117.6 126.02 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.637 HD21 HD21 ' A' ' 45' ' ' LEU . 2.2 mp -102.11 75.78 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.518 ' HG3' ' CD1' ' A' ' 29' ' ' TRP . 2.5 mmp_? -72.26 -57.39 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 -134.05 142.35 43.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 53.4 Cg_endo -69.7 -163.67 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.473 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 67.5 t80 -142.58 115.62 8.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -93.8 -52.79 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.6 p -174.73 168.15 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -102.92 144.54 16.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 117' ' ' SER . 53.7 Cg_endo -69.7 130.04 18.71 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.1 t -53.32 88.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 115' ' ' PRO . 4.1 m 55.1 39.36 31.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.503 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -147.61 126.15 12.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -155.31 115.61 3.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -98.84 156.15 17.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 88.78 101.94 0.99 Allowed Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.524 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.8 m -80.02 145.44 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.774 0.321 . . . . 0.0 111.102 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.446 HG22 ' N ' ' B' ' 8' ' ' PTR . 12.8 mm -66.99 155.16 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.512 ' CD2' ' HG3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -81.19 115.65 20.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.813 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.544 ' C ' HD12 ' B' ' 11' ' ' LEU . 0.5 OUTLIER -70.61 -175.59 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.544 HD12 ' C ' ' B' ' 10' ' ' ASP . 0.7 OUTLIER -115.95 -174.71 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.503 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 4.3 p30 -77.39 -54.12 6.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.628 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -42.07 -52.21 9.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.892 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.628 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.3 Cg_endo -69.84 149.78 66.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.34 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -46.0 155.7 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.5 m -105.92 144.26 32.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.44 -155.76 7.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 m 54.64 47.61 22.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 0.0 110.884 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p -112.55 175.44 5.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.62 -165.21 37.06 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.414 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 0.1 OUTLIER -106.69 29.73 6.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.774 0.321 . . . . 0.0 110.935 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -104.06 119.47 39.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -97.64 -63.28 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.27 -123.36 5.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.529 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -61.29 115.29 3.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.825 0.345 . . . . 0.0 110.829 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.5 tpp -159.63 152.35 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.673 ' HA ' HD11 ' A' ' 37' ' ' LEU . 45.5 m -107.39 145.81 32.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.82 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.41 -72.98 0.25 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.42 -26.22 0.95 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.459 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.821 ' HG3' HD11 ' A' ' 21' ' ' LEU . 7.5 tp60 -66.5 -64.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.39 -50.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.573 ' HA ' HG21 ' A' ' 62' ' ' VAL . 13.5 mt-10 -47.25 -49.46 23.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 m -60.78 -62.48 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.821 HD11 ' HG3' ' A' ' 17' ' ' GLN . 4.8 mp -46.32 -52.53 12.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.537 HD21 HD23 ' A' ' 32' ' ' LEU . 18.7 mt -59.5 -67.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.98 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.423 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 72.2 mt-30 -41.85 -43.18 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.23 -41.59 72.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -36.96 75.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.96 27.06 70.74 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -114.59 122.04 34.73 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 142.76 49.01 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.77 2.313 . . . . 0.0 112.327 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.528 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 6.3 m95 71.38 26.64 3.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.4 m -90.2 96.68 10.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.209 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.664 ' CB ' HD23 ' A' ' 107' ' ' LEU . 21.1 p90 -90.98 165.35 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.537 HD23 HD21 ' A' ' 22' ' ' LEU . 2.9 pp -167.9 138.36 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.424 HG11 ' HG ' ' A' ' 85' ' ' LEU . 36.1 t -98.03 145.22 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' HD3' HD11 ' A' ' 32' ' ' LEU . 41.9 ptt85 -157.87 115.87 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' ARG . 2.2 tt0 -36.96 155.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 p -64.72 -175.47 0.19 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.673 HD11 ' HA ' ' A' ' 14' ' ' SER . 12.9 mt -115.01 -64.64 1.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.7 m -127.13 39.71 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -122.46 141.96 36.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.625 0.726 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.8 Cg_endo -69.76 122.47 9.15 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.629 2.219 . . . . 0.0 112.345 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 34.16 60.1 0.59 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.442 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 9.4 t70 -131.59 169.96 15.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.445 ' CZ ' ' OH ' ' A' ' 74' ' ' TYR . 12.5 m-85 -141.97 173.46 11.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.9 t -136.42 136.16 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.182 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.4 tp -118.29 104.58 10.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.3 m -99.71 141.06 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.638 HG11 HG13 ' A' ' 105' ' ' VAL . 74.4 t -142.96 135.23 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.44 HD11 ' O ' ' A' ' 60' ' ' LEU . 16.9 tp -89.02 97.75 11.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.5 p -56.63 158.26 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.791 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.528 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 5.1 t70 -83.39 2.09 38.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -94.33 110.41 48.43 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.55 0.691 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 153.98 68.14 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.712 2.274 . . . . 0.0 112.289 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -60.05 -55.05 38.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -116.38 -60.45 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -148.06 -154.28 6.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -19.16 36.46 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.638 2.225 . . . . 0.0 112.305 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -91.18 -17.23 51.51 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.8 p -84.59 152.71 60.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.678 0.751 . . . . 0.0 110.792 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.423 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.81 142.0 46.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.263 . . . . 0.0 112.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.44 ' O ' HD11 ' A' ' 48' ' ' LEU . 72.4 mt -64.91 142.12 58.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -66.27 150.41 48.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.573 HG21 ' HA ' ' A' ' 19' ' ' GLU . 18.1 t -115.16 127.68 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.1 m -100.76 110.14 22.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.199 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -94.16 123.21 37.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.4 mt -131.86 112.91 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -71.26 113.4 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.5 t -82.06 115.92 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.149 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.454 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 42.7 mtm -77.39 174.55 10.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 31.7 t -141.71 114.98 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.03 82.12 5.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.14 -74.07 1.47 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -128.57 -14.63 2.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.45 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -103.39 -178.79 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.736 ' CE2' HD22 ' A' ' 85' ' ' LEU . 26.4 m-85 -125.96 150.54 47.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.8 t -156.18 154.57 31.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 76' ' ' VAL . 13.5 m -123.69 86.06 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.454 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 77.01 -50.52 3.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.59 163.01 49.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 77.9 mt -75.99 -21.18 57.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.963 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -52.54 173.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.5 p -153.06 164.78 37.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.493 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 77.8 m-85 -143.15 135.61 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 82' ' ' PHE . 4.4 m-20 -37.8 -39.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 t -174.63 -178.73 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.736 HD22 ' CE2' ' A' ' 74' ' ' TYR . 3.6 mm? -44.96 -32.64 1.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.9 m -64.42 -59.67 4.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.11 -37.57 74.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.493 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.2 tt -69.55 -64.12 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 85' ' ' LEU . 72.3 t -53.18 -59.73 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -44.61 -59.8 2.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -55.21 -21.03 12.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -93.66 -15.9 24.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -77.17 -16.21 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.479 ' HG3' HG23 ' A' ' 95' ' ' THR . 5.9 ptpt -105.98 -35.62 7.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.479 HG23 ' HG3' ' A' ' 94' ' ' LYS . 73.2 p -93.2 -54.62 3.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.09 167.74 21.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.422 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 50.5 mt -113.82 125.1 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.761 0.315 . . . . 0.0 111.157 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.609 ' CD ' ' CE2' ' A' ' 104' ' ' PHE . 4.9 tp10 -95.14 120.45 35.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -88.29 156.45 19.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -58.9 -54.71 44.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -39.93 -42.28 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 128.72 25.55 1.01 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -108.97 159.16 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 111.081 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.609 ' CE2' ' CD ' ' A' ' 98' ' ' GLU . 8.7 m-85 -124.51 103.48 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.638 HG13 HG11 ' A' ' 47' ' ' VAL . 78.1 t -73.54 139.53 19.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.509 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 19.7 m-85 -122.59 140.81 52.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.664 HD23 ' CB ' ' A' ' 31' ' ' PHE . 2.0 mp -118.95 90.45 3.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.969 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.467 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 21.5 mtm180 -86.42 -45.32 11.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -145.98 142.24 17.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.528 0.68 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.534 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 54.1 Cg_endo -69.75 -164.05 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.39 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 113' ' ' SER . 69.0 t80 -133.5 107.22 7.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.968 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.534 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 35.0 m-85 -96.3 44.29 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 35.0 p 36.44 42.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.55 -162.24 53.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.441 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 125.65 12.36 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.651 2.234 . . . . 0.0 112.389 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 69.8 m -123.35 111.0 15.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.8 t -43.8 -45.87 7.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.505 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.5 mmt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.795 0.331 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -79.09 117.73 20.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -92.77 116.89 29.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -45.49 -54.4 7.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.04 144.61 3.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m -86.04 136.56 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 111.136 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 7.5 mm -70.77 147.42 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.197 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.3 m -54.62 139.12 39.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.46 164.6 12.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.599 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 0.5 OUTLIER -93.37 -173.25 3.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.549 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 0.5 OUTLIER -91.59 -55.77 3.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.632 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.1 OUTLIER -41.3 -52.46 7.55 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.565 0.698 . . . . 0.0 110.883 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.6 Cg_endo -69.71 147.49 63.34 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.37 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.144 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 p -69.11 121.56 16.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -67.76 89.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.36 142.3 13.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.418 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -95.91 123.83 39.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.817 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -72.5 -51.59 19.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.2 -116.5 0.42 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.479 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -116.61 29.14 8.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.783 0.325 . . . . 0.0 110.891 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -101.73 123.71 46.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.983 0.42 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -104.84 -62.12 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.47 -109.52 2.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -57.29 106.35 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.756 0.312 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.8 ttm -172.45 147.48 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.0 p -118.98 154.95 32.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -41.15 -51.44 4.3 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.536 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.38 -50.27 57.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.807 ' O ' HD12 ' A' ' 21' ' ' LEU . 16.4 tp60 -59.39 -61.77 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -39.78 -46.61 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.533 ' HA ' HG21 ' A' ' 62' ' ' VAL . 6.6 mt-10 -55.34 -46.72 76.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -60.27 -54.7 42.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 17' ' ' GLN . 5.0 mp -55.31 -49.77 71.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.983 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.782 HD21 HD23 ' A' ' 32' ' ' LEU . 38.7 mt -60.69 -61.22 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.469 ' CG ' ' HB2' ' A' ' 59' ' ' PRO . 92.8 mt-30 -49.89 -56.85 8.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.56 -44.89 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -58.19 -37.99 75.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 64.36 27.87 72.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -107.67 120.22 47.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.671 0.748 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 143.01 49.54 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.402 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.5 m95 66.62 35.79 5.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 96.7 m -99.78 98.65 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.065 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.653 ' CB ' HD23 ' A' ' 107' ' ' LEU . 24.4 p90 -92.81 163.43 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.782 HD23 HD21 ' A' ' 22' ' ' LEU . 3.4 pp -167.2 133.8 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.479 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 61.6 t -92.18 140.74 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -150.8 134.03 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -57.13 166.23 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.5 p -90.98 179.25 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.9 mt -116.66 -53.96 2.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' GLN . 9.9 m -102.0 -57.11 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' SER . 15.2 mp0 -37.12 129.49 0.77 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.714 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.8 Cg_endo -69.79 124.18 10.82 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 33.18 63.57 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.522 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -138.06 149.21 45.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 2.1 m-85 -109.81 168.55 9.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 82.3 t -138.3 134.64 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.9 tp -105.35 122.92 46.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.81 148.03 37.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.734 HG11 HG13 ' A' ' 105' ' ' VAL . 85.4 t -153.64 143.64 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.0 tp -103.79 99.27 9.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.1 p -58.8 153.3 17.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.506 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.5 OUTLIER -75.38 -4.07 37.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 37.1 mt-30 -86.99 113.78 55.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.542 0.687 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 51' ' ' GLN . 53.1 Cg_endo -69.83 147.92 63.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.649 2.233 . . . . 0.0 112.294 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -50.91 -47.13 60.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.32 -52.8 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.062 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.411 ' HA3' ' HD2' ' A' ' 56' ' ' PRO . . . -177.41 -144.33 5.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.411 ' HD2' ' HA3' ' A' ' 55' ' ' GLY . 52.9 Cg_endo -69.83 91.58 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 142.92 -35.3 1.71 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.43 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.3 p -72.12 152.88 92.66 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.597 0.713 . . . . 0.0 110.856 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.469 ' HB2' ' CG ' ' A' ' 23' ' ' GLN . 53.4 Cg_endo -69.79 118.03 5.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.296 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.6 mt -38.6 151.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -75.84 146.07 40.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.533 HG21 ' HA ' ' A' ' 19' ' ' GLU . 49.3 t -110.8 143.08 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.185 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.3 m -118.76 113.58 21.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -99.31 108.97 21.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.0 mt -110.99 108.24 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.47 ' HG3' ' CD1' ' B' ' 8' ' ' PTR . 30.9 mttp -65.53 108.08 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.7 t -79.41 113.74 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.469 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 22.6 mtm -83.32 154.18 24.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.9 t -124.3 136.77 54.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -130.68 79.44 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.53 57.23 4.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.442 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.41 -41.02 3.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -76.18 157.08 33.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.841 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 22.2 m-85 -119.22 146.89 44.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -139.21 171.86 13.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 76' ' ' VAL . 26.8 m -134.23 96.53 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.469 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 40.46 26.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -140.57 172.48 23.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.491 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.8 mp -78.55 -27.87 45.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -56.06 164.65 1.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.7 p -143.97 164.97 29.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.54 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 86.7 m-85 -143.05 145.46 32.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -48.57 -48.39 38.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.563 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 5.2 m -166.46 -177.64 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.687 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.2 mm? -48.05 -33.77 8.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 68.8 m -64.89 -58.84 5.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -58.98 -42.9 91.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.4 tt -64.37 -62.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 85' ' ' LEU . 95.8 t -51.99 -60.71 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -44.39 -60.09 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -50.97 -24.0 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.559 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.9 m-85 -93.87 -26.24 16.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -65.68 -18.29 65.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 pttt -106.95 -39.08 5.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.3 p -83.16 -56.32 3.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.212 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.24 157.58 14.67 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.559 HG13 ' CD1' ' A' ' 92' ' ' PHE . 45.7 mt -116.82 135.88 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 111.13 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -108.88 149.38 29.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -107.63 148.77 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -48.38 -49.59 34.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t -52.56 -47.27 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.72 30.59 0.25 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.422 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -103.92 157.68 16.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 111.058 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -127.22 106.08 9.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.734 HG13 HG11 ' A' ' 47' ' ' VAL . 83.3 t -82.54 132.91 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.554 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.9 m-85 -119.77 135.91 54.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.653 HD23 ' CB ' ' A' ' 31' ' ' PHE . 2.3 mp -113.5 96.98 6.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.47 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 24.0 mtm180 -92.74 -45.21 8.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.4 pm0 -146.37 143.82 19.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.417 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.7 Cg_endo -69.71 -165.07 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.361 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.455 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 94.4 t80 -135.91 113.14 10.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.417 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.8 m-85 -97.88 154.26 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.8 t -96.32 94.17 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -119.8 154.3 16.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -8.64 24.12 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.6 2.2 . . . . 0.0 112.315 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.6 t -125.0 148.25 48.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.6 m -140.89 129.25 22.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.431 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.3 tpt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.765 0.317 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.69 127.13 31.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -92.74 -48.11 6.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -102.25 -52.48 3.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.98 175.54 32.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.421 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 33.8 m -70.59 143.14 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 11.5 mm -73.71 149.81 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.47 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -46.43 173.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.792 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.0 -176.34 4.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.584 HD11 ' HB ' ' A' ' 76' ' ' VAL . 76.8 mt -108.86 -175.11 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.461 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 0.7 OUTLIER -81.28 -49.27 10.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.634 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -42.01 -51.99 9.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.877 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.5 Cg_endo -69.73 147.47 63.15 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.73 2.287 . . . . 0.0 112.298 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.224 0 C-N-CA 122.675 2.25 . . . . 0.0 112.286 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -83.6 177.98 8.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -108.04 135.64 49.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.3 64.41 0.2 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.448 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -116.77 164.01 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 m -116.75 40.0 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.27 -105.19 0.73 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.538 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.404 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -116.36 26.69 9.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.36 . . . . 0.0 110.927 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -100.46 120.12 39.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -100.96 -45.05 5.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.48 -117.22 5.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.43 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -61.51 101.22 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.5 tpp -157.56 127.28 6.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.8 p -84.28 149.04 26.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.48 -60.12 3.85 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.34 -43.17 9.83 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.796 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.7 tp60 -58.02 -64.45 0.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.763 0.316 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -36.86 -52.73 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 12.4 mt-10 -48.49 -47.83 38.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.5 m -60.24 -59.69 5.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.1 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.796 HD12 ' O ' ' A' ' 17' ' ' GLN . 4.8 mp -50.4 -47.58 56.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.1 mt -61.61 -65.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -46.47 -54.05 9.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.33 -40.99 5.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.073 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -61.85 -38.14 87.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.53 17.37 66.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.526 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -100.47 122.02 51.17 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.716 0.77 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 142.06 47.26 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.748 2.299 . . . . 0.0 112.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.555 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 8.0 m95 68.75 34.54 3.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.6 m -97.01 97.52 9.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.652 ' CB ' HD23 ' A' ' 107' ' ' LEU . 33.3 p90 -87.83 167.35 13.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.552 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -168.82 132.91 1.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.404 HG21 ' CE3' ' A' ' 8' ' ' TRP . 50.5 t -92.81 150.82 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.7 ptt85 -167.73 128.89 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -43.72 154.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 6.1 t -93.48 148.88 21.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.3 mt -103.57 -57.65 2.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 m -43.81 -61.73 1.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -104.4 130.35 23.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.621 0.724 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 139.62 40.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.44 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 82.28 -38.4 2.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 36' ' ' SER . 6.9 t0 -63.4 155.75 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 5.3 m-85 -118.26 178.05 4.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.0 t -145.96 139.2 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 tp -116.17 110.12 18.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.8 m -99.86 141.39 32.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.592 HG11 HG13 ' A' ' 105' ' ' VAL . 96.9 t -142.38 148.05 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.1 tp -103.66 97.48 7.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.8 p -59.2 150.69 24.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.804 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 2.1 t70 -74.87 0.75 14.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -89.87 114.29 60.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.717 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.52 60.42 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.653 2.236 . . . . 0.0 112.369 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -50.82 -57.42 8.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -109.32 -61.2 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -163.83 -148.39 5.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.63 84.77 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.388 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.38 -28.84 0.87 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 p -75.11 155.23 86.4 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 60' ' ' LEU . 53.6 Cg_endo -69.79 115.73 4.23 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' PRO . 52.2 mt -36.24 147.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -72.97 151.49 41.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.4 t -115.24 134.46 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.48 HG21 HG21 ' A' ' 105' ' ' VAL . 57.8 m -106.88 106.76 17.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.41 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 82.2 m-70 -93.42 114.74 27.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 21.9 mt -125.73 131.73 71.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' B' ' 8' ' ' PTR . 6.4 mtmp? -79.01 141.59 37.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.9 t -113.34 108.64 26.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.438 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 41.1 mtm -75.27 160.76 29.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.1 t -128.51 122.75 31.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -108.33 92.2 3.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 50.95 62.12 5.59 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.21 -37.56 3.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -78.18 173.47 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.35 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.646 ' CE2' HD22 ' A' ' 85' ' ' LEU . 30.2 m-85 -134.26 150.91 51.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.057 0.456 . . . . 0.0 110.883 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.9 t -154.82 166.15 34.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 76' ' ' VAL . 16.6 m -129.92 87.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.438 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.09 -61.0 2.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.74 174.2 2.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.449 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 mp -84.76 -14.48 48.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.72 0.295 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -53.48 172.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.1 p -156.96 152.71 27.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.15 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 67.0 m-85 -130.72 154.99 47.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -55.78 -45.99 78.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.415 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 26.5 p -165.79 -175.91 3.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.679 ' O ' HG23 ' A' ' 89' ' ' VAL . 2.9 mm? -50.86 -33.71 25.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.5 m -65.58 -56.16 13.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.15 -39.36 92.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.498 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 7.9 tt -66.61 -59.0 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 85' ' ' LEU . 73.1 t -57.4 -57.97 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -44.65 -54.92 5.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -56.11 -24.03 37.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -93.73 -18.85 21.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -74.45 -15.56 60.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.427 ' HG3' HG23 ' A' ' 95' ' ' THR . 3.4 ptmt -106.71 -36.43 6.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.427 HG23 ' HG3' ' A' ' 94' ' ' LYS . 81.3 p -91.56 -64.75 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 118.93 157.68 10.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.419 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 41.0 mt -103.16 136.75 34.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.772 0.32 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 55.6 tt0 -108.35 117.32 33.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.682 ' OE1' HD12 ' B' ' 11' ' ' LEU . 5.3 mm-40 -87.27 154.23 20.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' SER . . . -56.42 -57.42 12.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' ALA . 3.7 m -35.45 -43.94 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.32 23.79 1.09 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -107.85 162.27 14.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 111.077 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.0 m-85 -128.8 107.25 9.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.592 HG13 HG11 ' A' ' 47' ' ' VAL . 55.4 t -79.18 140.25 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.555 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 18.2 m-85 -122.41 143.57 49.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.652 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -122.67 95.11 4.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.417 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 41.7 mtp180 -90.99 -40.41 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -150.68 143.25 16.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.71 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.464 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.3 Cg_endo -69.76 -165.22 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 0.0 112.281 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 86.6 t80 -130.87 115.4 16.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.968 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.464 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.4 m-85 -99.61 137.53 37.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.5 m -110.24 -58.09 2.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 153.42 171.08 20.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.395 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -29.77 23.63 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.73 2.287 . . . . 0.0 112.36 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.6 p -82.24 176.68 9.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 p -140.37 122.41 15.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.541 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.778 0.323 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -149.78 128.81 12.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -140.82 146.7 37.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -115.39 173.83 6.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.12 162.0 8.11 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 m -92.39 146.93 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 11.6 mm -71.71 149.24 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.441 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.431 ' CB ' ' OE2' ' A' ' 99' ' ' GLU . 1.9 m -70.78 108.51 4.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.1 172.12 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.682 HD12 ' OE1' ' A' ' 99' ' ' GLU . 8.6 mp -101.76 -172.82 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.557 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 0.6 OUTLIER -91.07 -55.98 3.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.637 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -41.55 -52.32 8.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.59 0.71 . . . . 0.0 110.93 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.4 Cg_endo -69.85 162.74 40.95 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.317 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.373 179.883 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -121.47 121.03 36.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -55.69 97.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.814 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.82 -142.24 17.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 t -54.97 129.73 38.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.906 0.384 . . . . 0.0 110.804 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -79.03 157.16 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.43 -140.18 4.53 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.43 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -107.37 28.71 7.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.754 0.311 . . . . 0.0 110.91 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -102.52 113.26 26.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -89.06 -56.4 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.89 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.14 -112.16 3.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -77.28 126.07 30.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.749 0.309 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.524 ' SD ' ' HB2' ' A' ' 18' ' ' ALA . 24.3 ttm -174.26 138.64 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.3 t -76.01 139.45 41.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.0 -58.06 4.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.541 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.24 -28.5 50.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.544 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.832 ' HG2' HD11 ' A' ' 21' ' ' LEU . 12.2 tt0 -61.83 -64.28 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.524 ' HB2' ' SD ' ' A' ' 13' ' ' MET . . . -35.97 -51.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.532 ' HA ' HG21 ' A' ' 62' ' ' VAL . 16.3 mt-10 -45.65 -48.66 14.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.6 m -61.11 -66.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.832 HD11 ' HG2' ' A' ' 17' ' ' GLN . 4.6 mp -41.9 -44.18 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.984 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.629 HD21 HD23 ' A' ' 32' ' ' LEU . 32.1 mt -67.25 -60.09 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.467 ' CG ' ' HB2' ' A' ' 59' ' ' PRO . 98.3 mt-30 -50.33 -59.05 4.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.53 -39.23 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -61.21 -43.98 98.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.85 6.42 72.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.451 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.89 120.4 69.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 0.0 110.771 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 143.78 51.52 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.475 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 9.2 m95 68.51 31.28 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.437 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 88.2 m -92.04 96.87 10.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.658 ' CB ' HD23 ' A' ' 107' ' ' LEU . 17.3 p90 -90.1 159.03 17.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.629 HD23 HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -161.95 128.46 3.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.43 HG21 ' CE3' ' A' ' 8' ' ' TRP . 5.3 t -89.68 145.94 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -162.6 120.94 2.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -46.57 153.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 t -59.8 -176.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 mt -113.23 -43.71 3.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.9 p -115.2 -19.07 10.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.434 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 3.3 tp-100 -89.5 108.39 24.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.72 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 39' ' ' GLN . 54.4 Cg_endo -69.72 110.63 2.59 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.538 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 105.22 -55.05 0.58 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.444 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -43.41 164.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.756 0.313 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.538 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 59.3 m-85 -134.93 -178.38 5.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.467 ' CG2' ' HE2' ' B' ' 8' ' ' PTR . 40.2 t -153.93 148.48 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.768 HD21 HD21 ' A' ' 107' ' ' LEU . 24.4 tp -127.77 99.74 5.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 m -90.19 133.72 34.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.632 HG22 ' CB ' ' A' ' 31' ' ' PHE . 98.4 t -134.77 142.28 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.4 tp -97.22 96.52 8.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.9 p -53.61 156.26 2.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.815 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.472 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 2.5 t70 -78.7 1.6 22.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -97.88 126.05 42.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.624 0.726 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 158.59 56.45 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.62 2.213 . . . . 0.0 112.358 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -61.53 -48.26 81.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.42 -51.65 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -171.39 -149.9 6.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 90.85 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.31 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.24 -29.94 1.62 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.8 p -78.38 152.95 79.03 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.676 0.751 . . . . 0.0 110.844 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.467 ' HB2' ' CG ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.81 120.43 7.21 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.292 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 59' ' ' PRO . 29.0 mt -35.48 147.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -71.38 148.49 46.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.532 HG21 ' HA ' ' A' ' 19' ' ' GLU . 45.2 t -112.43 135.97 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 98.7 m -112.64 116.04 29.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.111 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -101.21 105.19 16.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.781 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.491 HD13 HD13 ' A' ' 97' ' ' ILE . 23.5 mt -103.37 131.25 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -79.24 124.77 28.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.8 t -105.08 92.78 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.473 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 43.9 mtm -62.82 169.26 3.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.6 t -136.6 128.85 29.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -122.43 83.02 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.98 54.84 22.41 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.52 -28.86 7.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -75.4 175.67 8.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.727 ' CE2' HD22 ' A' ' 85' ' ' LEU . 41.2 m-85 -143.92 143.63 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.4 t -152.54 162.54 41.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.151 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 76' ' ' VAL . 33.7 m -127.59 86.51 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.026 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.473 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.84 -48.67 2.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.539 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.21 164.5 52.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.46 -25.06 57.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.403 ' C ' HG23 ' A' ' 81' ' ' THR . 8.3 mt-10 -46.18 170.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.403 HG23 ' C ' ' A' ' 80' ' ' GLU . 67.0 p -157.65 159.63 37.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.511 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 70.7 m-85 -137.57 143.81 41.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -46.44 -35.09 5.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.473 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 2.8 m -173.61 173.28 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.727 HD22 ' CE2' ' A' ' 74' ' ' TYR . 3.1 mm? -41.93 -62.88 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.1 m -40.8 -47.39 2.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -67.39 -39.62 85.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.511 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.3 tt -69.4 -65.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.498 HG11 ' CE2' ' A' ' 31' ' ' PHE . 56.5 t -45.88 -58.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -43.57 -61.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -52.36 -23.56 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.799 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -93.74 -18.42 22.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -71.89 -20.86 61.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.457 ' HG3' HG23 ' A' ' 95' ' ' THR . 9.5 pttp -106.27 -40.91 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.457 HG23 ' HG3' ' A' ' 94' ' ' LYS . 52.7 p -82.89 -47.56 11.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.87 165.32 35.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.962 ' CG2' HD11 ' B' ' 11' ' ' LEU . 14.1 mt -109.92 142.73 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.113 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.47 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 23.5 tt0 -116.62 90.61 3.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -55.91 156.89 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.843 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -56.17 -60.15 3.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' ALA . 2.1 m -36.25 -37.83 0.13 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 123.18 26.28 1.7 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -103.9 149.46 25.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 8.8 m-85 -115.14 104.92 12.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.505 ' CG1' HG11 ' A' ' 47' ' ' VAL . 73.1 t -83.14 132.01 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.475 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 20.0 m-85 -116.79 138.86 51.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.768 HD21 HD21 ' A' ' 45' ' ' LEU . 1.5 mp -115.24 96.77 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.971 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.447 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 11.4 mtm180 -91.62 -48.45 6.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -142.57 143.61 27.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.41 ' CB ' ' HB3' ' A' ' 8' ' ' TRP . 54.6 Cg_endo -69.69 -165.1 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.691 2.261 . . . . 0.0 112.403 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.437 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 77.5 t80 -140.56 120.12 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -103.58 146.87 27.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.9 t -120.32 171.23 8.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.35 -93.25 0.49 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -17.07 37.79 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.615 2.21 . . . . 0.0 112.384 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 85.3 p -64.62 109.21 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.2 t 50.58 51.95 15.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.538 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.713 0.292 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.51 157.51 37.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -103.86 135.08 46.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -80.87 -57.45 3.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 140.21 -172.91 23.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.516 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 13.7 m -102.03 154.87 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.749 0.309 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 12.0 mm -71.53 151.55 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.467 ' HE2' ' CG2' ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 54.2 m -82.76 114.33 21.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -178.26 1.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.962 HD11 ' CG2' ' A' ' 97' ' ' ILE . 3.7 mm? -103.67 -174.05 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.519 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 1.9 p-10 -78.41 -54.82 5.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.654 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -43.78 -51.49 16.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.741 . . . . 0.0 110.952 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.654 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.3 Cg_endo -69.8 163.71 37.29 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.639 2.226 . . . . 0.0 112.325 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.203 0 C-N-CA 122.697 2.265 . . . . 0.0 112.356 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.209 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 p -85.65 163.21 18.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 m -150.79 112.54 4.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.808 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.42 -157.08 29.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -61.6 104.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.839 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.3 p -170.95 148.89 2.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.88 -80.89 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.472 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -119.75 28.3 8.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 110.885 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -104.83 123.33 47.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -98.12 -69.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' MET . . . 117.97 -119.04 4.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -53.34 84.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.772 0.32 . . . . 0.0 110.833 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' GLY . 14.9 tpp -140.63 143.52 35.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.537 ' HA ' HD11 ' A' ' 37' ' ' LEU . 2.6 m -109.93 159.26 17.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.88 -74.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.61 -33.68 0.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.827 ' HG2' HD11 ' A' ' 21' ' ' LEU . 11.7 tt0 -66.61 -65.31 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.339 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -35.07 -49.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -54.45 -48.69 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' GLN . 81.5 m -56.92 -52.7 64.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.827 HD11 ' HG2' ' A' ' 17' ' ' GLN . 5.0 mp -56.55 -58.89 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.524 ' O ' HD22 ' A' ' 48' ' ' LEU . 48.8 mt -54.23 -61.55 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -48.92 -51.61 29.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.15 -37.86 55.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -57.99 -42.9 86.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.7 6.82 67.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.545 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -95.51 120.49 63.56 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.687 0.756 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 142.4 47.95 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.473 ' CD1' ' HD2' ' A' ' 108' ' ' ARG . 7.6 m95 71.35 32.02 2.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.1 m -92.99 101.0 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.717 ' CB ' HD23 ' A' ' 107' ' ' LEU . 22.9 p90 -95.07 160.57 14.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.9 pp -167.1 142.58 4.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.472 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 36.8 t -96.34 135.88 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.0 ptt85 -144.42 111.46 5.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -47.7 122.1 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 t -58.27 151.42 19.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.537 HD11 ' HA ' ' A' ' 14' ' ' SER . 15.9 mt -92.68 -46.86 7.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.2 t -56.78 -64.96 0.7 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.441 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 3.2 mp0 -94.55 105.45 18.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.722 0.773 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 39' ' ' GLN . 54.1 Cg_endo -69.82 3.45 2.79 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.617 2.212 . . . . 0.0 112.35 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -114.95 -19.86 5.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.483 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.23 174.63 5.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.364 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.438 ' CE1' ' CZ ' ' A' ' 74' ' ' TYR . 5.8 m-85 -130.07 -178.05 4.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.3 t -148.26 149.16 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 tp -127.07 116.87 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 m -106.63 148.19 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.631 HG11 HG13 ' A' ' 105' ' ' VAL . 98.9 t -148.46 134.6 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.524 HD22 ' O ' ' A' ' 22' ' ' LEU . 20.4 tp -89.97 97.29 11.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.1 p -59.34 157.81 10.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -80.74 0.96 32.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 37.6 mt-30 -90.38 111.48 47.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.711 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 51' ' ' GLN . 53.2 Cg_endo -69.85 151.19 68.47 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.73 2.287 . . . . 0.0 112.261 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -62.51 -56.24 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -134.65 90.55 2.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.36 -165.71 2.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.428 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 133.64 26.0 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.621 2.214 . . . . 0.0 112.343 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.21 -43.77 1.62 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 p -64.78 153.34 88.21 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.607 0.718 . . . . 0.0 110.832 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 120.85 7.57 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.9 mt -41.61 148.16 0.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -70.26 150.28 46.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.1 t -115.56 126.58 73.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.096 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.427 HG21 HG21 ' A' ' 105' ' ' VAL . 96.6 m -100.83 106.46 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -95.54 113.39 25.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.5 mt -118.68 125.03 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.155 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -73.56 133.02 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.3 t -101.57 101.02 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.472 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 28.6 mtm -65.43 161.42 19.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 40.3 t -129.34 120.93 26.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -119.13 102.45 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.11 56.66 13.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.77 -34.42 2.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -76.21 166.48 23.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.486 ' CD2' HD22 ' A' ' 85' ' ' LEU . 24.9 m-85 -126.09 150.59 48.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.955 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.3 t -156.86 163.84 38.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.186 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 76' ' ' VAL . 16.3 m -126.87 87.23 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.071 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.472 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 74.92 -58.68 2.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.05 167.89 11.0 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.0 mt -77.3 -23.48 51.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.721 0.296 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -46.5 170.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 79.3 p -155.21 157.4 37.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.49 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 60.1 m-85 -135.81 155.67 49.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.53 -46.49 77.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.8 p -169.22 178.22 4.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 89' ' ' VAL . 3.5 mm? -44.46 -27.96 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.402 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 54.3 m -71.62 -49.97 35.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -69.47 -38.42 77.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.49 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.3 tt -68.62 -61.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 85' ' ' LEU . 99.5 t -53.23 -58.19 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 86' ' ' THR . 49.7 mm-40 -44.24 -57.73 3.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -55.88 -21.91 22.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.475 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.2 m-85 -93.81 -15.96 24.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.504 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 37.7 mtmt -75.75 -16.16 60.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.8 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.476 ' HG3' HG23 ' A' ' 95' ' ' THR . 7.0 pttp -106.26 -37.02 6.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.476 HG23 ' HG3' ' A' ' 94' ' ' LYS . 72.7 p -90.0 -68.08 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 113.76 150.16 10.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.475 HG13 ' CD1' ' A' ' 92' ' ' PHE . 24.9 mt -94.9 140.86 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.076 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.5 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 31.2 tt0 -109.04 117.81 35.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.509 ' OE2' HG23 ' A' ' 105' ' ' VAL . 2.3 mp0 -85.92 142.67 28.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' SER . . . -38.82 -62.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' ALA . 91.9 p -35.77 -37.68 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.89 21.17 2.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.41 156.99 16.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 111.051 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.4 m-85 -126.34 106.93 9.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.631 HG13 HG11 ' A' ' 47' ' ' VAL . 75.5 t -76.77 134.54 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.141 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.447 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 22.4 m-85 -118.49 133.86 55.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.717 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.8 mp -112.93 94.12 4.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.834 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.473 ' HD2' ' CD1' ' A' ' 29' ' ' TRP . 12.9 mtp-105 -91.23 -46.91 7.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.7 pm0 -140.44 141.53 26.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.512 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.0 Cg_endo -69.83 -163.77 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.309 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.538 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 89.7 t80 -135.5 112.76 10.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.512 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 6.8 m-85 -101.77 105.85 16.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.4 t -48.88 -58.51 4.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 141.81 145.82 4.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.74 89.54 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.7 2.266 . . . . 0.0 112.315 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -143.15 140.74 30.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.0 m -113.0 59.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.496 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ptp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.779 0.323 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -129.8 122.12 28.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' B' ' 4' ' ' GLN . 13.0 p30 -109.21 -52.33 2.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.445 ' N ' ' OD1' ' B' ' 3' ' ' ASN . 0.0 OUTLIER -39.07 -45.12 1.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.34 178.1 45.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.53 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 m -105.37 140.09 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.481 HG22 ' N ' ' B' ' 8' ' ' PTR . 13.1 mm -65.99 156.77 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.481 ' N ' HG22 ' B' ' 7' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -75.55 107.77 7.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.15 178.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.496 HD21 ' HB ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -107.63 -174.89 2.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.517 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 1.8 p-10 -86.34 -54.17 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.648 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -40.29 -51.67 6.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.92 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.5 Cg_endo -69.78 154.75 67.3 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.722 2.281 . . . . 0.0 112.377 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.157 0 C-N-CA 122.717 2.278 . . . . 0.0 112.339 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -80.86 133.15 35.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 m -89.15 134.37 34.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.804 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.99 -83.03 1.2 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 m -70.85 126.58 29.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.923 0.392 . . . . 0.0 110.835 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.2 m -90.65 89.75 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.799 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.52 -141.72 12.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.433 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.567 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -120.3 25.78 9.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.968 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -97.28 116.28 29.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -114.1 74.09 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.39 166.41 34.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 62.56 33.2 16.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.7 0.286 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.507 ' CE ' HD22 ' A' ' 21' ' ' LEU . 37.4 ttm -118.56 155.77 30.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.461 ' N ' ' HG2' ' A' ' 13' ' ' MET . 58.8 m -108.79 158.73 17.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.72 -70.38 0.93 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.21 -24.99 1.69 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.846 ' HG3' HD11 ' A' ' 21' ' ' LEU . 20.4 tp60 -68.39 -62.55 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 110.942 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -36.53 -46.63 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.491 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 25.9 mt-10 -50.31 -46.96 55.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 63.1 m -63.05 -60.95 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.223 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.846 HD11 ' HG3' ' A' ' 17' ' ' GLN . 4.5 mp -48.86 -45.37 40.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.573 ' HG ' HD23 ' A' ' 32' ' ' LEU . 19.7 mt -66.01 -61.8 1.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.446 ' CG ' ' HB2' ' A' ' 59' ' ' PRO . 75.3 mt-30 -48.51 -57.96 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.0 -41.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.06 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -60.49 -41.77 94.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.11 8.97 66.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -91.08 120.29 68.62 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.707 0.765 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 142.02 46.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.5 m95 70.97 30.6 2.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.435 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 94.6 m -93.55 100.89 13.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.821 ' CB ' HD23 ' A' ' 107' ' ' LEU . 25.5 p90 -93.01 157.14 16.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.607 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -161.06 135.32 7.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.567 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 42.7 t -93.0 150.35 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' NH2' HG11 ' A' ' 44' ' ' VAL . 50.2 ptt85 -162.31 142.69 10.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -58.98 161.27 5.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.537 ' HB3' HG23 ' A' ' 44' ' ' VAL . 8.3 p -110.19 83.97 1.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 38' ' ' SER . 11.7 mt -38.93 -64.45 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 37' ' ' LEU . 2.1 m -36.2 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -87.88 109.03 24.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.601 0.715 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 112.71 3.15 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.382 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.545 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 122.19 -48.78 0.93 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.423 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.525 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 53.8 m-20 -67.54 -179.71 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 1.3 m-85 -139.45 172.73 12.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 36' ' ' SER . 75.8 t -138.95 147.72 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.7 tp -122.12 121.55 37.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.0 m -112.45 146.0 39.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.669 HG11 ' CG1' ' A' ' 105' ' ' VAL . 87.2 t -148.97 133.88 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.434 ' CD1' HG22 ' A' ' 62' ' ' VAL . 17.9 tp -90.07 97.39 11.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.8 p -60.32 155.83 17.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 4.3 t70 -76.62 1.13 17.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -89.28 116.06 65.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.585 0.707 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 142.89 49.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.254 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -49.54 -50.23 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.85 -50.88 2.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.57 -146.97 6.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 91.4 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.689 2.259 . . . . 0.0 112.393 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 144.58 -32.25 1.74 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.535 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 p -77.03 153.18 82.64 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.653 0.739 . . . . 0.0 110.913 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.446 ' HB2' ' CG ' ' A' ' 23' ' ' GLN . 54.4 Cg_endo -69.7 118.55 5.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 59' ' ' PRO . 24.7 mt -34.67 151.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.83 145.52 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.434 HG22 ' CD1' ' A' ' 48' ' ' LEU . 34.7 t -111.32 125.4 68.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.012 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.441 HG23 ' HB2' ' B' ' 9' ' ' SER . 71.3 m -103.7 119.01 38.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.491 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 40.8 m-70 -105.62 114.61 28.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.503 HD13 HD13 ' A' ' 97' ' ' ILE . 14.5 mt -115.85 118.7 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.53 ' HG3' ' CD2' ' B' ' 8' ' ' PTR . 34.2 mtmm -63.64 144.21 57.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.2 t -116.58 107.62 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.049 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.461 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 36.2 mtm -74.98 153.54 38.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 27.3 t -137.87 122.34 18.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.475 ' HG3' ' CG ' ' A' ' 73' ' ' ARG . 2.4 pt-20 -115.65 99.75 7.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.45 -50.53 2.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -168.92 -29.68 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.445 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.475 ' CG ' ' HG3' ' A' ' 70' ' ' GLU . 14.1 ptt180 -81.79 149.59 28.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.665 ' CE2' HD22 ' A' ' 85' ' ' LEU . 29.4 m-85 -106.8 151.26 25.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.1 t -159.91 153.0 21.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 76' ' ' VAL . 17.6 m -118.06 85.97 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.461 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.89 -63.66 2.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.436 ' N ' HD12 ' B' ' 13' ' ' LEU . . . -56.15 149.25 27.17 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.428 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.8 mt -62.78 -14.41 44.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 81' ' ' THR . 7.9 mt-10 -52.46 -175.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 80' ' ' GLU . 47.1 p -162.33 174.01 13.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.226 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.553 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 59.3 m-85 -157.54 134.19 9.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 82' ' ' PHE . 6.2 m-20 -36.21 -52.19 0.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.433 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 1.9 m -164.01 -176.22 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.665 HD22 ' CE2' ' A' ' 74' ' ' TYR . 3.3 mm? -47.86 -34.79 9.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.2 m -63.44 -58.25 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.84 -38.6 86.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.553 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -66.36 -61.64 1.9 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 85' ' ' LEU . 78.5 t -54.86 -55.95 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -45.24 -54.85 6.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.43 ' HA ' ' HZ2' ' A' ' 94' ' ' LYS . 13.2 t60 -59.23 -22.32 60.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.46 ' CD1' HG13 ' A' ' 97' ' ' ILE . 2.3 m-85 -93.75 -11.17 32.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -80.33 -16.46 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.524 ' HG3' HG23 ' A' ' 95' ' ' THR . 10.7 pttm -106.63 -38.67 6.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.524 HG23 ' HG3' ' A' ' 94' ' ' LYS . 72.8 p -88.76 -67.05 0.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.43 154.23 12.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.503 HD13 HD13 ' A' ' 65' ' ' ILE . 35.0 mt -98.7 132.98 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 111.093 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 38.9 tt0 -103.98 110.16 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -77.98 142.05 38.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -41.37 -58.61 1.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.072 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 m -38.77 -42.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 127.43 28.24 0.92 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -104.68 152.28 22.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.756 0.312 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.9 m-85 -125.71 104.49 8.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.669 ' CG1' HG11 ' A' ' 47' ' ' VAL . 92.4 t -75.76 133.87 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.569 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 19.7 m-85 -120.22 133.84 55.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.821 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.7 mp -112.46 96.41 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.436 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 30.9 mtp85 -90.55 -42.94 10.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 -146.98 142.42 17.03 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.578 0.704 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -164.14 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.639 2.226 . . . . 0.0 112.312 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.435 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 87.9 t80 -140.06 139.83 35.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.991 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -125.72 169.91 12.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.9 t -139.67 137.85 35.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 171.02 -177.03 44.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 126.09 12.88 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 t -139.35 146.68 40.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 81.0 p -149.48 118.94 6.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.179 -0.79 . . . . 0.0 112.538 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.6 tpp . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.734 0.302 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -154.27 175.55 13.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -157.69 140.67 15.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -92.66 90.3 7.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.63 -135.61 12.99 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.5 m -141.07 135.85 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.5 mm -61.62 148.89 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.53 ' CD2' ' HG3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.441 ' HB2' HG23 ' A' ' 63' ' ' THR . 1.9 m -64.67 110.89 2.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.22 170.27 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.658 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 1.8 mp -96.6 179.89 4.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.67 ' OD1' HD23 ' B' ' 13' ' ' LEU . 1.3 p-10 -92.15 -29.72 16.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.67 HD23 ' OD1' ' B' ' 12' ' ' ASN . 0.2 OUTLIER -41.92 -53.35 8.22 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.657 0.741 . . . . 0.0 110.927 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.623 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.6 Cg_endo -69.73 169.81 18.01 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.708 2.272 . . . . 0.0 112.386 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 C-N-CA 122.714 2.276 . . . . 0.0 112.418 179.913 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -57.52 174.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 p -55.52 139.65 43.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.82 127.5 2.33 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -114.04 144.35 43.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.392 . . . . 0.0 110.828 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -106.41 153.62 21.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.936 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.79 -148.23 23.84 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.551 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.44 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -111.14 21.69 16.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.801 0.334 . . . . 0.0 110.949 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.408 ' OH ' ' CG ' ' A' ' 35' ' ' GLU . 6.1 t80 -99.31 113.87 26.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -94.43 -59.18 2.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.827 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.08 -100.98 1.13 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.428 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -69.3 101.13 1.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.757 0.313 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 39.0 ttm -165.92 158.37 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.446 ' HB3' HD11 ' A' ' 37' ' ' LEU . 60.0 p -125.72 179.77 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.38 -60.56 6.94 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.6 -42.39 27.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.752 ' HG3' HD11 ' A' ' 21' ' ' LEU . 4.8 tp60 -60.64 -62.42 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.712 0.291 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -38.3 -43.99 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.485 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 13.1 mt-10 -57.22 -45.89 83.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.4 m -63.7 -46.52 85.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.752 HD11 ' HG3' ' A' ' 17' ' ' GLN . 5.3 mp -63.18 -42.67 99.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.536 HD21 HD23 ' A' ' 32' ' ' LEU . 68.3 mt -71.64 -62.72 1.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.44 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 90.1 mt-30 -47.65 -45.34 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.991 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.3 90.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -54.33 -44.33 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.74 24.47 76.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.88 121.1 42.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 110.929 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 142.0 47.17 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.6 m95 68.54 33.29 4.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -95.31 99.73 11.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.473 ' CB ' HG22 ' A' ' 47' ' ' VAL . 20.5 p90 -93.48 160.8 14.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.813 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.568 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -164.92 135.58 3.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 t -104.55 151.7 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.554 HH22 ' N ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -152.74 -177.63 6.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' CG ' ' OH ' ' A' ' 9' ' ' TYR . 35.3 mt-10 -107.81 131.28 54.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 m -58.67 -178.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.446 HD11 ' HB3' ' A' ' 14' ' ' SER . 15.3 mt -124.8 113.76 18.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 t 59.04 47.19 12.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -127.33 137.96 31.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.614 0.721 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.6 Cg_endo -69.86 106.23 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.697 2.265 . . . . 0.0 112.26 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 36.1 65.48 0.49 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -142.82 126.12 16.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.965 0.412 . . . . 0.0 110.814 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 2.2 m-85 -108.42 178.58 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.5 t -146.28 148.79 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.432 HD21 HD21 ' A' ' 107' ' ' LEU . 47.4 tp -125.16 139.81 53.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.554 ' N ' HH22 ' A' ' 34' ' ' ARG . 68.3 m -126.32 149.23 49.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.615 HG11 ' CG1' ' A' ' 105' ' ' VAL . 66.1 t -150.37 140.4 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 60' ' ' LEU . 17.5 tp -99.63 98.06 8.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.6 p -59.71 159.03 9.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.454 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 3.7 t70 -81.39 2.41 28.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.409 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 35.1 mt-30 -92.57 108.87 34.71 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 51' ' ' GLN . 53.8 Cg_endo -69.67 148.51 65.8 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.402 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -52.88 -57.91 8.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.7 -74.87 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -143.39 -154.39 6.12 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 83.44 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.6 2.2 . . . . 0.0 112.351 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.36 -32.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.4 p -71.33 154.4 93.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.683 0.754 . . . . 0.0 110.877 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.44 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 54.1 Cg_endo -69.73 114.54 3.73 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.465 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 62.6 mt -36.71 149.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -70.38 145.81 50.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.472 HG11 ' CE1' ' A' ' 64' ' ' HIS . 65.4 t -114.48 132.33 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.599 HG23 ' HB2' ' B' ' 9' ' ' SER . 16.7 m -108.42 107.28 17.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.485 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 73.1 m-70 -93.42 114.91 27.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.3 mt -114.7 116.24 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -71.62 110.42 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.0 t -80.82 121.23 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.459 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 42.1 mtm -89.1 165.8 14.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.6 t -127.97 128.24 44.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.804 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -119.25 80.43 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.33 53.1 48.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 99.72 -50.09 1.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -68.41 177.29 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.886 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.614 ' CE2' HD22 ' A' ' 85' ' ' LEU . 28.6 m-85 -136.57 146.08 45.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 t -146.17 153.89 41.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.161 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 76' ' ' VAL . 33.2 m -121.63 86.15 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.459 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.39 -49.67 2.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.551 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.06 163.66 50.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.2 mt -76.68 -19.81 57.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.433 ' O ' ' CG2' ' A' ' 81' ' ' THR . 5.9 mm-40 -53.2 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.433 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 34.2 p -158.51 165.26 34.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.552 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 63.9 m-85 -144.17 137.5 27.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 82' ' ' PHE . 11.2 m-20 -37.91 -53.49 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.556 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 2.3 m -161.11 -176.33 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.614 HD22 ' CE2' ' A' ' 74' ' ' TYR . 4.3 mm? -47.99 -36.68 13.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.9 m -61.6 -61.64 2.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -55.84 -40.14 72.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.552 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -65.77 -65.41 0.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 85' ' ' LEU . 72.3 t -51.31 -59.57 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -44.09 -59.29 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -53.28 -21.88 6.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -93.73 -26.31 17.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.425 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 30.5 mtmt -67.24 -15.51 63.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.92 -45.86 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.2 p -77.66 -54.49 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.88 156.19 19.16 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.505 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.515 ' CG2' HD21 ' B' ' 11' ' ' LEU . 61.3 mt -108.32 133.76 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 111.09 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 33.9 tt0 -105.76 138.25 42.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -92.25 145.82 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -40.08 -58.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.059 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 m -54.07 -66.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 178.99 -35.9 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.62 151.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.348 . . . . 0.0 111.086 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 9.7 m-85 -127.64 124.57 38.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.615 ' CG1' HG11 ' A' ' 47' ' ' VAL . 94.9 t -92.6 134.19 31.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.567 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 23.6 m-85 -120.51 126.13 49.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.432 HD21 HD21 ' A' ' 45' ' ' LEU . 1.3 mp -102.62 78.12 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.488 ' HG3' ' CD1' ' A' ' 29' ' ' TRP . 1.8 mmp_? -75.24 -57.21 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -134.01 141.67 40.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.56 0.695 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.453 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.83 -164.61 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.392 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -138.34 110.69 7.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.453 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.9 m-85 -95.69 129.37 42.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.6 p -82.88 -16.59 46.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.41 127.85 4.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 143.28 50.03 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.5 p -111.66 -60.2 1.88 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.797 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 p -66.88 117.04 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.455 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.9 tmm? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.703 0.287 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -71.17 87.67 0.8 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.3 95.55 10.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' B' ' 5' ' ' GLY . 5.5 tp-100 -51.65 154.76 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' B' ' 4' ' ' GLN . . . -130.27 88.47 0.3 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 16.6 m -90.21 138.18 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.098 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 mm -69.93 142.64 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.599 ' HB2' HG23 ' A' ' 63' ' ' THR . 53.7 m -50.17 173.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.91 -175.06 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.515 HD21 ' CG2' ' A' ' 97' ' ' ILE . 87.8 mt -115.43 -179.06 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.48 -44.9 18.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.64 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -45.76 -51.66 28.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.598 0.713 . . . . 0.0 110.936 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.6 Cg_endo -69.71 131.95 22.39 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.725 2.283 . . . . 0.0 112.316 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.306 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t 54.63 41.57 31.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.821 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -109.84 160.01 16.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.25 62.93 5.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -66.19 152.14 45.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.1 m -140.99 130.13 23.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.865 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.05 -105.84 0.65 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.557 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.416 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -106.82 21.41 17.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.835 0.35 . . . . 0.0 110.92 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -98.14 110.83 23.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -86.46 -62.35 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.68 -128.07 7.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 6.0 p80 -54.49 107.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.686 0.279 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.9 ttp -168.55 134.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.538 ' HA ' HD11 ' A' ' 37' ' ' LEU . 10.8 m -89.28 175.64 7.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 17' ' ' GLN . . . -65.94 -67.9 1.85 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.4 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.95 -28.11 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.688 ' HG3' HD11 ' A' ' 21' ' ' LEU . 6.2 tp60 -72.17 -63.88 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' HB2' ' HE ' ' A' ' 34' ' ' ARG . . . -36.16 -46.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 23.7 mt-10 -52.58 -47.26 66.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 65.7 m -63.09 -58.59 6.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.738 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.1 mp -50.3 -40.94 49.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.5 mt -74.52 -68.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -41.85 -42.94 2.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.45 -44.13 76.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -55.24 -45.04 76.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.23 13.72 82.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.0 122.05 53.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.662 0.744 . . . . 0.0 110.837 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 54.0 Cg_endo -69.79 141.63 45.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.378 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.583 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 7.9 m95 69.24 36.87 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 81.7 m -97.13 103.16 15.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.702 ' CB ' HD23 ' A' ' 107' ' ' LEU . 23.7 p90 -94.27 156.83 16.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.649 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.1 pp -160.1 139.85 11.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.416 HG21 ' CE3' ' A' ' 8' ' ' TRP . 24.9 t -101.2 143.28 14.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.105 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.472 ' HE ' ' HB2' ' A' ' 18' ' ' ALA . 25.2 ptt85 -157.74 146.19 19.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.798 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -61.51 172.82 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -102.61 -174.83 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 14' ' ' SER . 14.7 mt -122.4 -62.93 1.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.6 t -75.25 -70.45 0.42 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -59.88 115.07 11.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 125.63 12.32 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.94 -51.6 4.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.469 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -43.82 139.83 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 5.5 m-85 -107.7 171.94 7.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.4 t -133.86 135.21 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.4 tp -115.38 108.85 17.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -103.61 139.22 39.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.576 HG11 HG13 ' A' ' 105' ' ' VAL . 96.0 t -141.19 144.11 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.446 ' CD1' HG22 ' A' ' 62' ' ' VAL . 17.9 tp -99.1 97.63 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.2 p -61.8 150.82 35.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.765 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.583 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 4.6 t70 -72.64 1.0 9.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.762 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -90.46 113.25 56.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.521 0.677 . . . . 0.0 110.974 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 149.92 67.27 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -52.98 -51.32 61.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.86 -69.71 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.22 -152.54 5.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 79.85 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.634 2.223 . . . . 0.0 112.345 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.74 -28.15 0.28 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.441 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 p -78.18 153.4 79.64 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.743 0.782 . . . . 0.0 110.818 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.3 Cg_endo -69.75 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.262 . . . . 0.0 112.37 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' PRO . 26.1 mt -37.05 149.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -72.03 144.66 48.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.446 HG22 ' CD1' ' A' ' 48' ' ' LEU . 5.7 t -114.98 124.45 71.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.2 m -96.59 117.43 30.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.445 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 91.6 m-70 -99.38 105.16 17.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.8 mt -107.16 139.52 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -98.33 104.48 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.803 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.5 t -77.76 124.68 36.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.468 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 50.6 mtm -86.0 169.44 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.0 t -139.66 124.88 18.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -122.27 92.99 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.72 52.58 41.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.31 -41.45 2.58 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -70.44 159.98 33.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.706 ' CE2' HD22 ' A' ' 85' ' ' LEU . 25.5 m-85 -128.15 144.46 51.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.991 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 t -150.94 154.35 36.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.56 ' O ' HD12 ' B' ' 11' ' ' LEU . 15.7 m -118.72 85.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.468 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 79.01 -65.92 3.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.784 ' H ' HD12 ' B' ' 13' ' ' LEU . . . -57.02 174.12 1.8 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.45 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 80' ' ' GLU . 32.1 mt -81.77 -19.82 40.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.688 0.28 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.4 ' C ' HG23 ' A' ' 81' ' ' THR . 11.8 mt-10 -45.66 172.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.4 HG23 ' C ' ' A' ' 80' ' ' GLU . 56.9 p -157.02 160.9 39.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 25.5 m-85 -144.22 147.27 33.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.3 -50.96 11.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -163.76 -178.68 5.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.706 HD22 ' CE2' ' A' ' 74' ' ' TYR . 2.1 mm? -47.82 -36.06 11.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.3 m -63.13 -53.61 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.85 -38.33 90.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -68.18 -63.11 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 85' ' ' LEU . 62.3 t -50.46 -56.71 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.156 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -44.19 -60.47 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -54.07 -20.85 7.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -93.4 -20.11 20.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.46 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 32.0 mtmt -74.08 -15.24 61.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.444 ' HG3' HG23 ' A' ' 95' ' ' THR . 5.7 ptmt -106.59 -37.01 6.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.444 HG23 ' HG3' ' A' ' 94' ' ' LYS . 59.8 p -91.78 -61.4 1.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 113.82 172.0 17.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.411 ' CG2' HD21 ' B' ' 11' ' ' LEU . 56.8 mt -121.05 136.08 59.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.743 0.306 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.508 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 8.3 tt0 -105.41 140.73 38.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -106.66 151.46 25.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.93 -58.99 4.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -42.26 -49.21 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.76 30.61 0.25 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.98 152.81 23.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.836 0.35 . . . . 0.0 111.037 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.508 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.8 m-85 -124.99 108.85 12.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.576 HG13 HG11 ' A' ' 47' ' ' VAL . 95.5 t -81.58 133.06 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.557 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.1 m-85 -119.11 129.49 55.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.702 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.2 mp -108.36 80.16 1.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -82.88 -48.46 10.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 8.1 pm0 -132.19 139.54 35.24 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -163.88 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.464 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 81.1 t80 -140.59 109.2 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -102.42 126.88 49.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 114' ' ' GLY . 1.3 p -57.92 -55.24 37.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.855 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 113' ' ' SER . . . 37.44 71.11 0.22 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -12.67 33.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.72 2.28 . . . . 0.0 112.374 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 88.9 p -112.64 143.32 44.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.8 t -133.46 132.0 40.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.447 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ppp? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -55.22 94.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -102.89 44.76 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -89.9 25.84 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.88 114.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 31.2 m -59.59 141.85 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 111.174 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.7 mm -71.09 142.05 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 58.7 m -49.53 163.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.98 -175.12 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' 76' ' ' VAL . 80.9 mt -114.26 170.86 7.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.407 ' C ' ' HD2' ' B' ' 14' ' ' PRO . 0.3 OUTLIER -84.67 -27.79 26.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.784 HD12 ' H ' ' A' ' 78' ' ' GLY . 0.3 OUTLIER -43.17 -51.05 14.26 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.648 0.737 . . . . 0.0 110.927 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.657 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.4 Cg_endo -69.79 110.33 2.53 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.74 2.293 . . . . 0.0 112.322 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' B' ' 14' ' ' PRO . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.223 0 C-N-CA 122.635 2.224 . . . . 0.0 112.343 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -142.84 129.75 20.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.91 0.386 . . . . 0.0 110.875 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.0 p -138.32 121.76 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.23 148.69 6.12 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 t -75.11 101.88 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 m -86.28 46.2 1.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.38 -142.42 2.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.434 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.454 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -117.73 21.27 13.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.75 0.309 . . . . 0.0 110.9 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -95.41 107.06 19.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.495 ' CD2' HD13 ' A' ' 32' ' ' LEU . 58.7 m-70 -80.99 -62.22 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.832 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.01 -80.94 0.28 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.552 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -88.04 96.11 10.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.747 0.308 . . . . 0.0 110.808 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.468 ' HE2' HD22 ' A' ' 21' ' ' LEU . 41.2 ttm -155.7 127.44 7.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 t -97.91 157.4 16.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -41.4 -63.92 1.48 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.54 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.3 -33.08 52.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.78 ' O ' HD12 ' A' ' 21' ' ' LEU . 14.7 tt0 -65.74 -65.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.934 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.405 ' HA ' HD13 ' A' ' 21' ' ' LEU . . . -37.5 -52.32 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -47.0 -49.58 20.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.9 m -58.31 -63.32 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 17' ' ' GLN . 4.6 mp -46.26 -51.4 14.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.595 HD21 HD23 ' A' ' 32' ' ' LEU . 22.6 mt -60.21 -68.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.426 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 94.1 mt-30 -41.72 -44.28 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.41 -40.6 68.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' CG ' ' HB2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -57.64 -45.35 85.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.74 3.98 74.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.432 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' HB2' ' CG ' ' A' ' 25' ' ' LYS . 2.9 mm-40 -92.72 122.46 64.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.665 0.745 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 141.98 46.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.648 2.232 . . . . 0.0 112.297 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.492 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 8.3 m95 72.61 26.49 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.43 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 68.3 m -87.18 98.43 11.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.917 ' CB ' HD23 ' A' ' 107' ' ' LEU . 27.7 p90 -88.1 168.92 12.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.595 HD23 HD21 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -173.73 138.35 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.454 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 16.0 t -95.91 151.57 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -167.21 113.41 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -59.65 139.18 57.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -63.45 163.01 11.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.8 mt -92.4 -54.65 3.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.4 m -89.73 -67.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.422 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 8.5 tp60 -37.36 98.91 0.17 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.635 0.731 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 39' ' ' GLN . 53.6 Cg_endo -69.84 124.0 10.62 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.69 2.26 . . . . 0.0 112.287 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.66 41.08 44.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.468 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -144.07 153.06 41.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.807 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -126.49 174.28 8.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.5 t -143.16 126.74 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.6 tp -104.6 104.6 14.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 m -91.88 140.97 29.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.67 HG11 ' CG1' ' A' ' 105' ' ' VAL . 78.4 t -145.53 132.03 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.101 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.0 tp -89.99 96.49 10.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.0 p -60.73 152.3 27.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.457 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -71.97 -1.37 14.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -85.68 117.14 68.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.517 0.675 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.28 66.4 Favored 'Trans proline' 0 C--O 1.23 0.125 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 1.8 mtpm? -70.5 -44.17 68.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.473 ' H ' ' CB ' ' A' ' 58' ' ' SER . . . -125.89 -45.39 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.515 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . 135.32 -57.96 0.68 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 53.5 Cg_endo -69.76 82.17 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.354 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 58.84 32.24 69.74 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.473 ' CB ' ' H ' ' A' ' 54' ' ' ALA . 78.4 p -81.4 148.95 64.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.702 0.763 . . . . 0.0 110.856 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.9 Cg_endo -69.78 113.31 3.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.78 2.32 . . . . 0.0 112.309 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.439 HD22 ' C ' ' A' ' 50' ' ' ASP . 25.6 mt -36.77 144.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.69 147.02 53.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.458 HG13 HD13 ' A' ' 22' ' ' LEU . 5.7 t -114.72 125.2 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 98.8 m -99.37 128.17 45.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.429 ' O ' ' CD2' ' B' ' 8' ' ' PTR . 41.5 m80 -113.12 111.1 21.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.9 mt -114.5 131.93 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.462 ' HG3' ' CE2' ' B' ' 8' ' ' PTR . 15.7 mttm -82.08 109.16 16.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.8 t -86.09 109.27 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 75' ' ' THR . 35.3 mtm -62.78 146.57 52.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.1 t -121.72 100.99 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 71' ' ' GLY . 11.4 mt-10 -80.15 -174.45 4.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLU . . . -32.76 -60.3 0.41 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -140.07 0.76 2.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.41 ' CB ' ' HB ' ' A' ' 81' ' ' THR . 0.8 OUTLIER -114.85 175.27 5.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.828 0.346 . . . . 0.0 110.916 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.705 ' CE2' HD22 ' A' ' 85' ' ' LEU . 67.1 m-85 -126.22 157.3 38.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.032 0.444 . . . . 0.0 110.869 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 68' ' ' MET . 4.5 t -159.24 162.61 36.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 76' ' ' VAL . 31.1 m -129.17 102.86 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 45.28 25.6 1.23 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -134.95 168.9 23.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.3 mt -84.09 -23.76 30.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -62.38 171.45 1.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.41 ' HB ' ' CB ' ' A' ' 73' ' ' ARG . 71.1 p -149.84 167.97 25.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.543 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 35.0 m-85 -143.24 144.63 32.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -41.65 -53.17 3.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.4 m -159.36 178.52 9.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.705 HD22 ' CE2' ' A' ' 74' ' ' TYR . 3.7 mm? -47.06 -34.24 5.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.7 m -64.6 -56.04 16.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -59.75 -37.49 79.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.543 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.8 tt -69.28 -64.68 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 85' ' ' LEU . 96.2 t -50.65 -55.74 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -45.51 -56.21 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -57.52 -20.35 30.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.426 ' CD1' HG13 ' A' ' 97' ' ' ILE . 2.3 m-85 -93.84 -22.23 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -69.15 -17.27 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.001 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.55 ' HG3' HG23 ' A' ' 95' ' ' THR . 13.0 ptpt -105.86 -38.55 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.55 HG23 ' HG3' ' A' ' 94' ' ' LYS . 45.3 p -92.63 -58.48 2.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.83 165.6 25.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.557 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.426 HG13 ' CD1' ' A' ' 92' ' ' PHE . 21.4 mt -105.93 131.31 55.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.79 0.328 . . . . 0.0 111.159 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.623 ' CD ' ' CE2' ' A' ' 104' ' ' PHE . 5.5 tp10 -99.11 129.29 45.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 100' ' ' ALA . 40.3 mt-10 -94.13 128.96 40.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.85 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -34.4 -50.31 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.3 m -45.59 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.96 31.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.411 ' HB3' ' OE1' ' A' ' 99' ' ' GLU . . . -115.99 151.0 36.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.623 ' CE2' ' CD ' ' A' ' 98' ' ' GLU . 9.3 m-85 -122.87 111.57 16.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.67 ' CG1' HG11 ' A' ' 47' ' ' VAL . 97.3 t -84.53 133.94 28.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.085 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.492 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 23.1 m-85 -118.53 146.42 44.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.917 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.3 mp -125.2 95.17 4.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.456 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 28.1 mtm180 -88.51 -45.81 9.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -144.86 142.12 18.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.575 0.702 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 53.8 Cg_endo -69.66 -166.14 0.17 Allowed 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.724 2.282 . . . . 0.0 112.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.43 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 92.4 t80 -135.73 107.18 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -87.05 162.15 17.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 90.7 p -104.29 99.92 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 102.27 95.06 2.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 -5.28 15.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.634 2.223 . . . . 0.0 112.45 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.5 t -106.59 -57.18 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.2 t -80.16 94.01 5.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.473 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.779 0.323 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -128.04 111.48 13.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -51.0 136.13 23.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -62.1 174.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.18 117.34 3.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 34.2 m -101.28 137.9 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 19.4 mm -64.56 140.87 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.462 ' CE2' ' HG3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.1 m -71.48 105.12 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.788 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.462 ' O ' HD12 ' B' ' 11' ' ' LEU . 6.0 m-20 -53.56 -178.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.834 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.85 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 0.7 OUTLIER -116.55 -173.78 2.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.983 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.52 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 1.2 p-10 -79.26 -54.6 5.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.654 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -42.74 -51.68 11.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.653 0.74 . . . . 0.0 110.975 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.654 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.3 Cg_endo -69.87 154.94 66.76 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.244 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.465 -0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -134.48 -44.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 t -72.77 85.81 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.902 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.25 45.77 2.23 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -93.48 134.15 36.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 0.0 110.842 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -164.87 177.19 8.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.39 169.52 12.3 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.438 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.445 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -114.2 28.93 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -102.47 132.14 48.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -112.43 -58.32 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.29 -125.15 7.02 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -57.47 104.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.8 ttm -152.58 114.32 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.5 t -72.32 148.57 45.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.07 -58.67 5.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.15 -33.23 44.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.454 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.78 ' HG2' HD11 ' A' ' 21' ' ' LEU . 7.5 tt0 -64.82 -65.38 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.792 0.33 . . . . 0.0 110.996 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HA ' HD13 ' A' ' 21' ' ' LEU . . . -35.09 -48.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.413 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 15.5 mt-10 -51.89 -48.56 64.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' GLN . 71.6 m -59.05 -54.01 51.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.202 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.78 HD11 ' HG2' ' A' ' 17' ' ' GLN . 4.9 mp -55.86 -47.34 77.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.475 HD21 HD23 ' A' ' 32' ' ' LEU . 37.1 mt -67.05 -67.03 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -42.74 -42.55 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.46 79.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -61.67 -34.9 76.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.42 35.63 91.31 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -121.4 121.58 28.43 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.586 0.708 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.66 48.65 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.471 ' CB ' ' HG3' ' A' ' 108' ' ' ARG . 6.6 m95 67.91 31.81 5.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 87.5 m -94.92 98.9 11.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.759 ' CB ' HD23 ' A' ' 107' ' ' LEU . 25.2 p90 -90.95 166.26 13.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.588 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.1 pp -167.65 132.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.445 HG21 ' CE3' ' A' ' 8' ' ' TRP . 43.5 t -93.08 130.86 41.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.532 ' HD3' HD11 ' A' ' 32' ' ' LEU . 35.8 ptt85 -143.3 147.63 35.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -71.02 153.76 42.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.55 ' OG ' HG23 ' A' ' 44' ' ' VAL . 67.8 m -83.26 163.99 20.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mp -108.68 -27.19 9.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 m -99.68 -69.31 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -64.49 116.11 25.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 124.0 10.68 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.648 2.232 . . . . 0.0 112.338 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.19 -45.23 3.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.414 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.81 144.13 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.569 ' CE1' ' CZ ' ' A' ' 74' ' ' TYR . 16.4 m-85 -106.25 171.55 7.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.55 HG23 ' OG ' ' A' ' 36' ' ' SER . 90.7 t -137.89 142.87 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.6 tp -119.75 116.09 25.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.3 m -112.16 139.8 47.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.649 HG11 HG13 ' A' ' 105' ' ' VAL . 73.3 t -140.89 149.03 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.6 tp -104.15 96.68 6.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.6 p -55.31 159.25 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -84.33 2.4 40.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -92.47 110.36 44.38 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.651 0.738 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 148.32 64.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -53.26 -47.63 68.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.8 -46.81 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.047 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.34 -143.88 7.19 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 88.27 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.19 -29.71 1.64 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.486 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.4 p -76.51 154.33 83.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 110.909 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 116.28 4.49 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.329 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.1 mt -41.74 144.48 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -71.34 144.45 49.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 63' ' ' THR . 46.5 t -108.12 153.7 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.418 ' N ' HG12 ' A' ' 62' ' ' VAL . 98.2 m -126.64 104.13 7.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.413 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 60.1 m-70 -90.71 112.39 24.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.402 ' O ' HG13 ' A' ' 44' ' ' VAL . 18.9 mt -113.0 135.78 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.403 ' CG ' ' HD2' ' B' ' 8' ' ' PTR . 19.8 mttm -88.32 113.27 23.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.0 t -87.24 104.91 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.478 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 23.0 mtm -73.32 151.5 41.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -105.28 131.54 52.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -115.85 77.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 48.87 53.93 16.12 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.436 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.47 -41.8 2.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -82.93 -179.48 7.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.598 ' CD2' HD22 ' A' ' 85' ' ' LEU . 27.0 m-85 -139.23 136.78 35.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.3 t -133.03 166.94 21.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.199 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 76' ' ' VAL . 23.7 m -129.02 86.46 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.478 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.19 -54.6 2.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.17 179.41 14.56 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.2 mt -85.81 -26.93 25.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -46.36 172.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.4 p -150.67 165.96 31.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 52.5 m-85 -143.4 136.52 27.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -36.41 -52.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -163.88 -179.83 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.598 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.5 mm? -47.66 -29.85 3.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.1 m -66.02 -57.79 6.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.171 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.77 -38.22 87.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.548 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -67.37 -63.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 85' ' ' LEU . 91.4 t -52.27 -58.14 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -46.68 -53.66 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -56.67 -21.5 28.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.403 ' CZ ' HG21 ' A' ' 76' ' ' VAL . 3.6 m-85 -93.77 -30.61 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -63.59 -17.0 62.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.959 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -106.68 -41.08 5.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 73.2 p -84.09 -56.25 3.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.55 160.53 17.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.417 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 65.5 mt -113.23 148.44 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 111.083 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -125.11 130.4 52.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -89.21 146.04 25.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.748 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -48.76 -45.52 39.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.9 m -52.78 -46.86 67.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.65 30.68 0.25 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.33 161.13 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.721 0.296 . . . . 0.0 111.177 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -128.66 105.61 8.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.649 HG13 HG11 ' A' ' 47' ' ' VAL . 70.3 t -83.96 134.04 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.465 ' HB2' ' CD2' ' A' ' 29' ' ' TRP . 18.9 m-85 -120.11 143.31 48.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.759 HD23 ' CB ' ' A' ' 31' ' ' PHE . 2.6 mp -119.05 94.28 4.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.471 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 25.2 mtm180 -89.36 -44.85 9.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -145.06 143.46 20.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.615 0.722 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.436 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.9 Cg_endo -69.71 -166.49 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.749 2.299 . . . . 0.0 112.313 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.461 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 69.9 t80 -142.46 115.96 9.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.436 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.4 m-85 -104.91 140.09 38.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.3 t -88.76 163.1 15.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.423 ' HA2' ' HD2' ' A' ' 115' ' ' PRO . . . 80.46 98.54 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.52 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.423 ' HD2' ' HA2' ' A' ' 114' ' ' GLY . 53.9 Cg_endo -69.71 -38.92 7.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.2 m 50.34 48.32 22.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 53.8 p -79.4 175.62 10.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.827 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.224 -0.765 . . . . 0.0 112.554 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.792 0.329 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -87.02 132.58 33.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -85.83 140.85 30.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -60.97 -62.16 2.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.41 137.95 6.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 32.7 m -107.78 145.2 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.5 mm -69.22 144.07 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.403 ' HD2' ' CG ' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.3 m -48.95 166.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -131.8 -174.68 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.748 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 83.8 mt -114.16 -176.13 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.42 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 0.8 OUTLIER -78.95 -46.87 17.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.844 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.632 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -48.85 -52.41 46.45 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.562 0.696 . . . . 0.0 110.872 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.7 Cg_endo -69.77 149.45 66.83 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.698 2.265 . . . . 0.0 112.312 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.383 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.3 m -117.35 157.81 25.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.816 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 m -129.13 122.4 29.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.26 54.06 0.19 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -39.95 118.69 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.939 0.399 . . . . 0.0 110.875 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t -104.98 126.71 52.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.32 -140.33 30.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.418 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.532 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -119.25 27.23 8.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.78 0.324 . . . . 0.0 110.908 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -103.58 126.32 50.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -109.73 -52.87 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.19 -99.68 2.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 32.5 p-80 -69.25 110.81 4.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.638 ' CE ' HD22 ' A' ' 21' ' ' LEU . 4.4 tpp -170.02 129.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 m -83.96 142.85 30.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 17' ' ' GLN . . . -39.46 -81.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.568 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . . . -36.29 -31.75 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.512 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.734 ' HG2' HD11 ' A' ' 21' ' ' LEU . 19.9 tt0 -61.15 -65.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.566 ' HA ' HD13 ' A' ' 21' ' ' LEU . . . -34.95 -50.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' HG2' HG21 ' A' ' 62' ' ' VAL . 10.4 mt-10 -47.99 -49.76 29.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.5 m -57.89 -58.31 8.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.78 ' H ' HD12 ' A' ' 21' ' ' LEU . 4.3 mp -51.5 -50.39 60.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.868 HD21 HD23 ' A' ' 32' ' ' LEU . 32.0 mt -60.82 -64.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -46.53 -41.93 14.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.89 -33.82 69.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 tptt -66.27 -34.29 77.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.79 12.54 48.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -98.31 121.63 56.37 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.692 0.758 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.19 50.12 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.658 2.239 . . . . 0.0 112.371 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.475 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.8 m95 68.98 35.12 2.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 88.6 m -94.88 97.28 9.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.172 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.775 ' CB ' HD23 ' A' ' 107' ' ' LEU . 20.7 p90 -90.81 157.69 17.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.868 HD23 HD21 ' A' ' 22' ' ' LEU . 2.3 pp -161.9 136.34 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.532 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 6.5 t -98.39 147.39 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.484 ' NH2' HG11 ' A' ' 44' ' ' VAL . 29.0 ptt85 -160.4 147.86 16.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.75 133.99 54.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 t -74.78 144.98 43.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.813 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.6 mt -101.7 -44.27 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.7 m -53.07 -59.11 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -106.61 135.63 19.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.543 0.687 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 138.42 37.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.292 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.6 -55.16 4.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.54 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.81 157.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 3.4 m-85 -120.49 169.13 10.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.484 HG11 ' NH2' ' A' ' 34' ' ' ARG . 40.8 t -134.55 140.42 45.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.8 tp -117.51 117.01 28.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -109.45 141.97 41.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.815 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.71 HG11 HG13 ' A' ' 105' ' ' VAL . 86.8 t -144.07 138.05 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.5 tp -94.25 96.18 9.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.7 p -55.21 160.24 2.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -83.24 1.15 42.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -91.88 114.75 63.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.699 . . . . 0.0 110.947 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 150.03 67.03 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.34 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -57.78 -41.01 81.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -127.52 -45.51 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.61 -146.58 8.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.408 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 91.8 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.44 -31.09 1.95 Allowed Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.9 p -76.71 153.84 83.35 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.631 0.729 . . . . 0.0 110.898 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.67 114.87 3.83 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' PRO . 29.5 mt -37.16 148.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -72.51 145.26 47.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.448 HG21 ' HG2' ' A' ' 19' ' ' GLU . 3.9 t -109.01 141.01 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.404 HG21 HG21 ' A' ' 105' ' ' VAL . 88.3 m -115.4 110.59 19.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -97.68 111.0 23.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.8 mt -114.07 138.07 45.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.529 ' HD2' ' CD2' ' B' ' 8' ' ' PTR . 0.0 OUTLIER -76.63 147.22 37.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.9 t -123.36 95.95 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.464 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 28.7 mtm -74.31 164.02 27.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 48.0 t -122.69 115.66 22.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -83.99 74.37 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 38.26 66.76 0.58 Allowed Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.509 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.72 -41.77 2.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -101.37 -179.71 4.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.612 ' CD2' HD22 ' A' ' 85' ' ' LEU . 26.6 m-85 -126.36 148.33 49.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.5 t -151.09 167.45 27.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 76' ' ' VAL . 16.8 m -129.24 87.98 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.464 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 73.87 -61.52 2.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.31 -173.28 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.445 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.1 mt -94.19 -21.51 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.736 0.303 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -47.06 169.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.9 p -154.09 159.34 41.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.481 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 50.2 m-85 -141.14 146.63 37.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -44.95 -47.46 11.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.4 p -166.07 -177.1 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.612 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.1 mm? -50.22 -32.08 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.0 m -65.54 -56.75 10.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.54 -35.5 80.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.481 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.2 tt -67.06 -62.76 1.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 85' ' ' LEU . 66.5 t -55.06 -55.86 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.091 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -43.07 -61.54 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -53.56 -23.34 10.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -93.65 -15.98 24.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -74.39 -20.6 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -106.27 -35.05 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.9 p -85.04 -65.55 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.54 147.93 10.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.7 mt -93.33 140.79 15.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 31.1 tt0 -113.4 116.22 29.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 102' ' ' GLY . 39.6 mt-10 -79.64 142.86 35.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -40.37 -58.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.7 p -47.2 -32.33 4.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 132.99 -35.98 2.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.458 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.33 153.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 9.6 m-85 -128.01 118.36 23.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.71 HG13 HG11 ' A' ' 47' ' ' VAL . 55.5 t -90.17 136.37 24.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.475 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 19.3 m-85 -121.49 139.41 53.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.775 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.5 mp -116.26 87.42 2.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.464 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 17.8 mtp180 -82.13 -51.46 7.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -139.84 142.82 32.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.582 0.706 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.419 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.74 -164.37 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.418 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.427 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 86.5 t80 -137.25 111.3 8.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.94 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.419 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 6.0 m-85 -95.62 143.76 26.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.91 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.4 t -88.23 -61.07 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.69 157.69 38.2 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.459 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 165.79 29.73 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.8 m -54.32 130.21 38.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.7 m -50.68 155.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.494 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mmt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.781 0.325 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -117.61 133.86 55.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -97.47 123.37 41.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -164.28 111.05 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.67 -121.03 4.18 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.398 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 5.1 m -144.63 149.04 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.821 0.343 . . . . 0.0 111.156 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.505 HG22 ' N ' ' B' ' 8' ' ' PTR . 7.7 mm -72.37 158.99 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.529 ' CD2' ' HD2' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m -60.27 102.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.65 173.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.709 ' HB3' HD22 ' B' ' 13' ' ' LEU . 6.4 mp -106.97 -174.05 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.419 ' CG ' HD13 ' B' ' 13' ' ' LEU . 4.2 p-10 -84.56 -27.6 27.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.825 HD22 ' H ' ' B' ' 13' ' ' LEU . 0.2 OUTLIER -60.87 -47.79 94.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.551 0.691 . . . . 0.0 110.937 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.7 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.4 Cg_endo -69.79 162.71 41.06 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 179.874 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -148.33 152.83 37.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.918 0.389 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 t -122.19 -56.34 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.815 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.08 152.09 21.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.436 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -115.75 151.47 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -100.39 157.18 16.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.39 -75.24 0.64 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.453 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -119.15 25.88 9.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.801 0.334 . . . . 0.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -107.16 122.45 46.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -102.07 -56.03 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.73 -115.45 4.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.434 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -57.07 107.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.777 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.549 ' O ' HD13 ' A' ' 37' ' ' LEU . 18.8 tpp -164.27 139.5 5.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.9 m -99.06 145.49 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.47 -62.08 2.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.461 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.52 -25.24 6.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.467 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.88 ' HG2' HD11 ' A' ' 21' ' ' LEU . 18.3 tt0 -73.97 -64.59 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -36.25 -45.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.563 ' HA ' HG21 ' A' ' 62' ' ' VAL . 13.9 mt-10 -53.16 -46.28 68.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 17' ' ' GLN . 65.5 m -63.36 -56.31 17.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.88 HD11 ' HG2' ' A' ' 17' ' ' GLN . 4.8 mp -53.06 -49.59 66.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.738 HD21 HD23 ' A' ' 32' ' ' LEU . 18.3 mt -63.68 -65.4 0.69 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -45.07 -47.7 11.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.99 -32.46 54.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -63.12 -45.54 91.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.54 16.98 80.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.462 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -106.75 120.04 49.53 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.714 0.769 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 143.46 51.11 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.505 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 7.6 m95 70.54 27.52 3.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 83.8 m -89.58 99.48 12.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.721 ' CB ' HD23 ' A' ' 107' ' ' LEU . 16.7 p90 -91.47 163.33 14.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.738 HD23 HD21 ' A' ' 22' ' ' LEU . 1.1 pp -170.91 137.66 1.25 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.4 t -98.54 144.46 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.655 ' HD3' HD11 ' A' ' 32' ' ' LEU . 18.4 ptt85 -156.85 115.06 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' ARG . 1.9 tt0 -34.54 147.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -58.22 176.38 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 13' ' ' MET . 8.7 tp -117.77 -17.55 9.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.5 m -114.68 -71.31 0.75 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -65.68 112.08 7.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.495 0.664 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 4.2 2.36 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.68 2.253 . . . . 0.0 112.303 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.72 22.7 3.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.8 163.89 28.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 14.6 m-85 -123.37 175.9 6.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.5 t -142.57 146.75 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 tp -123.98 130.54 52.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -120.23 144.08 47.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.835 HG11 ' CG1' ' A' ' 105' ' ' VAL . 70.1 t -147.43 132.31 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.459 ' CD1' HG22 ' A' ' 62' ' ' VAL . 16.3 tp -89.11 99.73 12.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.5 p -60.14 155.55 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.505 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.9 OUTLIER -79.42 1.4 25.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -98.46 121.55 56.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.565 0.698 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 149.58 66.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.653 2.236 . . . . 0.0 112.379 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -55.51 -56.16 23.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.73 -43.18 4.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.072 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.407 ' HA3' ' HD2' ' A' ' 56' ' ' PRO . . . 170.73 -147.59 10.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.486 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD2' ' HA3' ' A' ' 55' ' ' GLY . 53.2 Cg_endo -69.8 88.01 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.674 2.249 . . . . 0.0 112.325 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 149.74 -30.99 1.12 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.8 p -80.84 154.5 73.13 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.675 0.75 . . . . 0.0 110.84 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 119.81 6.69 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.8 mt -37.94 143.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.29 148.82 50.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.563 HG21 ' HA ' ' A' ' 19' ' ' GLU . 61.6 t -115.98 111.25 34.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.568 HG23 ' OG ' ' B' ' 9' ' ' SER . 98.1 m -79.33 107.31 12.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.527 ' CE1' ' CG1' ' A' ' 62' ' ' VAL . 65.3 m-70 -96.66 116.8 29.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.1 mt -122.42 122.5 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -74.71 118.91 18.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.6 t -89.61 127.74 42.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 50.8 mtm -93.67 169.76 10.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 20.1 t -135.42 124.95 25.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -111.37 99.34 8.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.799 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 46.68 53.29 10.17 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.397 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.29 -42.14 2.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -74.36 175.84 7.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.319 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.666 ' CE2' HD22 ' A' ' 85' ' ' LEU . 42.8 m-85 -128.93 150.01 50.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.5 t -155.71 154.3 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 76' ' ' VAL . 15.6 m -120.07 86.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.097 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.93 21.28 7.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.477 ' HA2' HD22 ' B' ' 13' ' ' LEU . . . -124.53 154.41 17.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.451 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.99 -10.18 57.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.48 -179.93 7.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.1 p -156.27 171.3 20.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 53.7 m-85 -147.34 139.28 24.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -41.64 -54.17 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m -157.28 -177.37 6.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.818 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.666 HD22 ' CE2' ' A' ' 74' ' ' TYR . 4.2 mm? -50.91 -32.81 21.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.7 m -65.52 -53.56 40.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.08 -38.19 90.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.768 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.566 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.4 tt -68.25 -65.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 85' ' ' LEU . 87.8 t -51.03 -55.23 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -46.05 -51.83 13.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -60.62 -22.01 63.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.518 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.8 m-85 -93.58 -17.1 23.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -74.3 -20.19 60.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 pttp -105.1 -39.04 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.8 p -87.07 -60.52 1.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.65 154.67 22.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.414 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.518 HG13 ' CD1' ' A' ' 92' ' ' PHE . 18.0 mt -96.33 145.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.463 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 24.4 tt0 -114.18 102.22 9.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.3 141.7 52.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -44.99 -57.02 4.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.5 m -39.95 -27.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.807 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . 111.06 32.54 2.58 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.473 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -111.21 154.08 24.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.379 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 10.1 m-85 -124.44 107.51 11.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.835 ' CG1' HG11 ' A' ' 47' ' ' VAL . 65.1 t -80.55 141.93 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -124.05 134.45 53.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.721 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.1 mp -111.57 97.46 6.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.443 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 29.6 mtp85 -91.23 -49.97 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -139.89 143.94 36.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.683 0.754 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.439 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.79 -164.1 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -136.09 124.4 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.439 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 7.3 m-85 -110.68 132.99 53.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.938 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 51.5 p -81.61 128.46 33.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -116.58 172.8 14.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -177.04 1.68 Allowed 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.771 2.314 . . . . 0.0 112.313 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.9 m -93.2 -46.55 7.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.5 t -94.08 -60.14 1.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.205 -0.775 . . . . 0.0 112.417 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 62.26 42.76 9.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -55.69 131.39 46.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -73.06 100.7 3.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -110.84 146.93 17.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.466 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 3.8 m -116.72 140.51 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.1 mm -71.04 143.05 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.568 ' OG ' HG23 ' A' ' 63' ' ' THR . 12.5 p -48.4 157.07 0.36 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.848 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.97 176.98 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.744 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 2.4 mp -111.56 -174.88 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.513 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 2.2 p-10 -77.73 -54.42 6.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.658 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -42.96 -51.46 12.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.728 . . . . 0.0 110.934 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 54.3 Cg_endo -69.68 149.48 67.46 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.655 2.236 . . . . 0.0 112.423 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.464 -0.218 0 C-N-CA 122.728 2.285 . . . . 0.0 112.338 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -148.15 112.02 5.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -103.17 133.69 47.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.25 126.24 4.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -125.15 48.55 2.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 p -106.05 146.94 29.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.79 -147.18 8.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.521 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.62 31.14 6.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.717 0.294 . . . . 0.0 110.921 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.44 ' HH ' ' HE2' ' A' ' 43' ' ' PHE . 20.5 t80 -104.06 122.25 44.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -120.95 98.78 6.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.56 151.36 32.47 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 68.33 48.46 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 110.834 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.3 ttp -145.18 118.26 8.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.3 p -82.41 -177.58 6.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.43 ' HA2' ' NH2' ' A' ' 34' ' ' ARG . . . -68.11 -57.21 8.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.499 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -41.29 -38.39 1.92 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.76 ' HG3' HD11 ' A' ' 21' ' ' LEU . 4.7 tp60 -72.46 -58.57 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.32 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.13 -43.33 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.46 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 11.3 mt-10 -53.44 -45.54 69.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.3 m -66.7 -60.04 3.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.76 HD11 ' HG3' ' A' ' 17' ' ' GLN . 5.1 mp -47.52 -35.58 9.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.677 HD21 HD23 ' A' ' 32' ' ' LEU . 30.2 mt -76.71 -59.41 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -50.13 -54.27 21.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.01 -42.39 13.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -59.82 -33.26 71.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.44 24.97 62.28 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -104.0 118.91 55.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.683 0.754 . . . . 0.0 110.823 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 141.55 45.44 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.268 . . . . 0.0 112.388 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.536 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 7.8 m95 68.31 32.83 4.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.413 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 99.0 m -94.31 103.21 15.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.76 ' CB ' HD23 ' A' ' 107' ' ' LEU . 21.5 p90 -93.43 161.24 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.677 HD23 HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -166.56 140.14 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.401 HG11 ' HG ' ' A' ' 85' ' ' LEU . 13.8 t -101.15 152.76 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' NH2' ' HA2' ' A' ' 15' ' ' GLY . 30.8 ptt85 -164.51 118.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -39.7 152.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.5 t -74.72 161.28 29.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.34 -55.07 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -89.87 -70.14 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.428 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 69.6 mt-30 -46.22 104.63 0.41 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 0.0 110.945 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 39' ' ' GLN . 54.0 Cg_endo -69.82 110.9 2.68 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.35 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.09 -36.71 4.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.14 173.07 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.44 ' HE2' ' HH ' ' A' ' 9' ' ' TYR . 68.6 m-85 -136.35 172.16 13.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.3 t -139.04 136.9 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.7 tp -115.74 123.45 48.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.2 m -117.49 142.33 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.782 HG11 HG13 ' A' ' 105' ' ' VAL . 83.8 t -142.38 143.26 26.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 22' ' ' LEU . 22.2 tp -97.17 95.91 8.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.2 p -57.52 148.13 24.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.536 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.5 OUTLIER -71.15 -5.15 29.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -84.28 113.59 49.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.65 0.738 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 148.11 64.29 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -55.66 -46.67 77.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.83 -66.2 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.92 -149.35 5.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 85.91 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.274 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.76 -31.32 1.01 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.6 p -71.13 154.56 93.92 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 115.77 4.25 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.766 2.31 . . . . 0.0 112.321 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.4 mt -38.2 147.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -71.43 151.29 44.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.409 HG21 ' HA ' ' A' ' 19' ' ' GLU . 47.5 t -111.55 145.28 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.45 HG21 HG21 ' A' ' 105' ' ' VAL . 29.6 m -121.53 105.74 10.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.46 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 52.8 m-70 -95.66 111.22 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.0 mt -116.76 121.96 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -67.61 133.22 49.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.2 t -107.23 93.98 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.13 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.44 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 33.4 mtm -57.07 168.82 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 31.7 t -141.16 114.63 8.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -106.8 80.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.13 59.54 9.88 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.38 -43.48 2.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.493 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.499 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 22.3 mtp180 -66.36 171.09 5.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.535 ' CD2' HD22 ' A' ' 85' ' ' LEU . 24.8 m-85 -142.18 142.86 32.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 t -151.75 165.16 35.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 76' ' ' VAL . 29.7 m -124.71 86.37 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.44 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.62 -63.78 2.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.475 ' H ' HD12 ' B' ' 13' ' ' LEU . . . -58.23 170.62 4.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.535 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.7 mt -77.17 -14.28 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -49.26 170.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 p -157.12 165.29 36.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 88' ' ' LEU . 81.1 m-85 -146.7 145.7 30.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.42 -32.13 48.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.461 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 5.4 t -174.84 175.68 2.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.723 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.4 mm? -44.38 -32.98 1.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.9 m -64.58 -59.08 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.434 ' CB ' ' HB3' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -54.03 -39.96 66.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.526 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 9.9 tt -68.24 -59.7 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 85' ' ' LEU . 60.7 t -57.39 -63.58 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -42.19 -55.46 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -59.11 -25.43 63.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 89' ' ' VAL . 2.1 m-85 -93.45 -14.14 27.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.524 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 29.0 mtmt -74.28 -18.18 60.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.451 ' HG3' HG23 ' A' ' 95' ' ' THR . 9.9 pttp -105.88 -44.18 4.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.964 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.451 HG23 ' HG3' ' A' ' 94' ' ' LYS . 44.3 p -82.92 -51.1 7.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.36 170.59 30.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 23.2 mt -115.97 136.31 53.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.778 0.323 . . . . 0.0 111.118 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 54.7 tt0 -104.06 132.66 50.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -99.94 165.78 11.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 101' ' ' SER . . . -68.22 -61.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.062 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' ALA . 1.2 t -35.17 -48.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.02 30.43 0.32 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -114.73 156.21 25.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 10.4 m-85 -124.99 113.89 18.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.918 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.782 HG13 HG11 ' A' ' 47' ' ' VAL . 54.6 t -82.75 131.66 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.518 ' HB2' ' CD2' ' A' ' 29' ' ' TRP . 22.3 m-85 -117.22 133.67 55.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.76 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.3 mp -112.72 74.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.468 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 7.1 mtt180 -75.95 -49.61 17.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -135.76 140.01 32.41 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.59 0.71 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -163.69 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.377 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.455 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 86.6 t80 -134.81 115.86 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -100.58 125.91 47.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.1 m -90.48 89.15 7.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 58.99 -178.91 1.67 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 171.19 14.85 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.614 2.209 . . . . 0.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.2 m -107.17 170.26 8.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 79.9 p -123.05 116.19 23.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.913 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 CA-C-O 119.079 -0.845 . . . . 0.0 112.403 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.4 mmm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.806 0.336 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.25 42.05 12.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -108.12 81.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -71.77 178.37 3.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.91 83.22 0.63 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.562 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 34.0 m -64.62 138.79 22.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 111.091 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 17.6 mm -66.23 145.51 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -89.04 119.14 29.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.58 -174.17 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.7 mt -121.96 173.38 7.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.655 ' OD1' HD23 ' B' ' 13' ' ' LEU . 1.3 p-10 -89.19 -32.54 17.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.655 HD23 ' OD1' ' B' ' 12' ' ' ASN . 0.2 OUTLIER -34.39 -54.36 0.91 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.627 0.727 . . . . 0.0 110.905 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 54.4 Cg_endo -69.68 148.67 66.1 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.709 2.272 . . . . 0.0 112.379 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.696 2.264 . . . . 0.0 112.359 179.883 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 t -39.41 139.69 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 110.797 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -135.54 149.99 49.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.53 70.85 0.21 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 m 52.37 47.71 24.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 110.877 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -102.34 130.18 49.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.15 161.6 35.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.407 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 0.0 OUTLIER -122.75 31.15 6.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 110.947 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -105.3 122.68 46.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -100.18 -53.86 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.796 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.52 -136.21 13.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.432 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 25.9 p-80 -55.4 110.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.5 tpp -161.86 126.94 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.799 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.0 p -81.18 -179.29 7.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.469 ' HA3' ' CG2' ' B' ' 6' ' ' VAL . . . -72.87 -60.5 3.88 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.09 -30.36 3.88 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.721 ' O ' HD12 ' A' ' 21' ' ' LEU . 7.2 tt0 -72.75 -64.58 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.926 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.402 ' HB2' ' NE ' ' A' ' 34' ' ' ARG . . . -39.38 -45.69 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.444 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 20.5 mt-10 -53.19 -46.72 69.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.4 m -61.45 -61.96 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.721 HD12 ' O ' ' A' ' 17' ' ' GLN . 5.0 mp -46.55 -50.56 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.549 HD21 HD23 ' A' ' 32' ' ' LEU . 30.5 mt -59.63 -69.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -41.64 -44.17 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.39 70.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' CG ' ' HB2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -59.48 -36.0 75.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.07 29.97 76.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.506 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.409 ' HB2' ' CG ' ' A' ' 25' ' ' LYS . 15.0 mt-10 -117.69 123.59 29.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.707 0.765 . . . . 0.0 110.86 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 143.25 50.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.766 2.31 . . . . 0.0 112.304 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.559 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.8 m95 67.59 34.76 4.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 92.0 m -97.32 97.17 8.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.554 ' CB ' HD23 ' A' ' 107' ' ' LEU . 29.1 p90 -88.52 165.43 14.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.549 HD23 HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -166.89 129.33 1.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.3 t -92.02 132.32 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.402 ' NE ' ' HB2' ' A' ' 18' ' ' ALA . 42.7 ptt85 -147.22 128.46 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.821 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -43.65 151.33 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 t -84.52 158.0 21.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -103.77 -66.61 0.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t -43.36 -74.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -82.94 131.0 55.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.669 0.747 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 145.38 56.71 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.686 2.257 . . . . 0.0 112.387 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.461 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 75.44 -46.92 1.99 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.552 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -43.47 166.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.461 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 5.6 m-85 -131.13 172.72 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.7 t -138.05 151.07 24.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.7 tp -126.29 102.57 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 m -99.1 135.45 40.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.603 HG11 HG13 ' A' ' 105' ' ' VAL . 93.3 t -138.99 143.1 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.425 ' HG ' ' CB ' ' A' ' 60' ' ' LEU . 18.4 tp -98.52 97.09 8.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.2 p -54.43 156.83 3.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.457 ' CB ' ' CZ2' ' A' ' 29' ' ' TRP . 10.4 t70 -81.05 1.23 32.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -94.13 115.35 65.09 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.62 0.724 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 152.03 69.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.314 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -58.16 -41.78 84.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -125.64 -58.83 1.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.79 -148.84 5.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 86.47 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.744 2.296 . . . . 0.0 112.394 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.41 -27.0 1.09 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.523 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 99.2 p -79.21 153.21 76.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.628 0.728 . . . . 0.0 110.92 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.3 Cg_endo -69.71 114.77 3.8 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 59.7 mt -36.57 149.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -73.63 147.38 43.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.431 HG21 ' HA ' ' A' ' 19' ' ' GLU . 18.4 t -109.82 148.47 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.2 m -125.47 117.45 23.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.444 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 74.0 m-70 -99.38 120.19 39.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.791 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 53.8 mt -127.11 112.06 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -69.34 117.47 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.0 t -86.2 106.23 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.0 mtm -68.98 156.91 37.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.2 t -133.65 124.04 26.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -114.12 89.38 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.37 49.77 73.08 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.32 -48.27 1.13 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.539 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -65.58 158.48 27.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.808 ' CE2' HD22 ' A' ' 85' ' ' LEU . 25.6 m-85 -123.65 153.52 40.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.962 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 t -159.12 174.32 15.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 76' ' ' VAL . 35.7 m -140.38 105.56 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.213 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 37.96 26.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.481 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -141.03 147.25 18.86 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.405 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.3 mp -59.88 -27.6 66.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -52.44 174.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.1 p -156.31 169.23 25.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.494 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 85.1 m-85 -149.41 138.77 21.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -41.58 -51.61 3.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.7 p -158.88 176.43 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.808 HD22 ' CE2' ' A' ' 74' ' ' TYR . 2.9 mm? -46.49 -31.54 2.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.1 m -64.77 -54.33 33.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -65.66 -33.24 75.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.494 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.2 tt -70.7 -62.02 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 85' ' ' LEU . 64.7 t -55.14 -59.11 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -42.89 -61.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -54.31 -21.52 9.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -93.7 -18.85 21.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -74.07 -18.81 60.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HG3' HG23 ' A' ' 95' ' ' THR . 11.5 ptpt -106.8 -35.72 6.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.918 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.414 HG23 ' HG3' ' A' ' 94' ' ' LYS . 80.7 p -87.83 -40.45 14.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.26 165.9 41.52 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 76.5 mt -118.14 142.27 33.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.539 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 23.9 tt0 -108.8 142.25 39.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -101.66 151.96 21.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -53.88 -59.09 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.5 m -44.79 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.95 30.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.425 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -110.71 156.0 21.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 8.9 m-85 -127.3 114.05 17.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.603 HG13 HG11 ' A' ' 47' ' ' VAL . 83.8 t -84.72 132.19 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.559 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 23.0 m-85 -120.16 132.93 55.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.554 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.6 mp -109.53 96.59 6.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.469 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 33.0 mtp180 -93.58 -45.57 7.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -143.88 142.88 21.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.619 0.723 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.456 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 54.7 Cg_endo -69.69 -165.75 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.634 2.223 . . . . 0.0 112.433 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.434 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 86.1 t80 -137.8 107.97 6.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.456 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 15.7 m-85 -93.8 155.15 17.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.5 t -97.54 149.52 22.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.864 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.54 115.63 3.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.29 59.53 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.65 2.233 . . . . 0.0 112.358 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.4 m -102.96 78.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.4 t -90.67 93.48 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.916 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.497 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.9 mmt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.734 0.302 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -62.79 101.1 0.23 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -70.05 86.04 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -77.25 86.97 3.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.88 124.36 4.92 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.469 ' CG2' ' HA3' ' A' ' 15' ' ' GLY . 27.1 m -88.81 142.31 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.791 0.329 . . . . 0.0 111.154 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.474 HG22 ' N ' ' B' ' 8' ' ' PTR . 17.1 mm -70.17 159.05 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.474 ' N ' HG22 ' B' ' 7' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.5 m -49.43 169.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.49 -175.0 3.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.601 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 89.9 mt -112.47 -175.37 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.442 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 1.6 p-10 -78.87 -50.01 11.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.636 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -46.47 -52.44 29.86 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 110.882 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.1 Cg_endo -69.76 141.68 45.87 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.674 2.25 . . . . 0.0 112.359 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -67.81 167.93 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 110.856 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -146.53 133.99 20.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.06 -167.27 30.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 p -166.99 135.03 2.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.955 0.407 . . . . 0.0 110.845 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.8 p -116.78 138.12 51.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.66 -134.2 1.71 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.475 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -116.9 18.63 14.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.943 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -92.05 124.37 36.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -102.98 -56.37 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.97 -128.92 9.54 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -50.66 101.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.478 ' SD ' ' HB2' ' A' ' 18' ' ' ALA . 29.5 ttm -163.8 139.8 6.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.427 ' HA ' HD11 ' A' ' 37' ' ' LEU . 89.1 p -104.15 172.48 6.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.35 -61.33 7.61 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.543 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.36 -43.77 7.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.746 ' HG3' HD11 ' A' ' 21' ' ' LEU . 7.4 tp60 -64.04 -64.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 0.0 110.901 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' HB2' ' SD ' ' A' ' 13' ' ' MET . . . -37.48 -44.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -57.01 -45.83 82.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 17' ' ' GLN . 70.5 m -63.8 -55.1 25.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.746 HD11 ' HG3' ' A' ' 17' ' ' GLN . 5.2 mp -53.52 -37.21 62.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.486 ' HG ' HD23 ' A' ' 32' ' ' LEU . 29.9 mt -76.96 -66.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -44.48 -46.42 9.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.89 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -58.66 -40.33 83.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.35 14.62 71.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.508 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -100.64 121.35 53.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.7 58.0 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.566 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.8 m95 67.09 34.59 4.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 92.0 m -97.51 97.75 9.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.671 ' CB ' HD23 ' A' ' 107' ' ' LEU . 26.6 p90 -88.71 154.68 20.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.723 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -154.89 133.84 12.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.516 HG11 ' HG ' ' A' ' 85' ' ' LEU . 17.1 t -95.93 146.44 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -162.8 142.6 9.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.809 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.62 149.43 27.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.1 m -68.7 178.43 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 37' ' ' LEU . 3.6 mp -109.53 -44.96 3.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.4 t -70.84 -64.71 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -91.7 107.2 20.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.518 0.675 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.16 2.95 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.698 2.265 . . . . 0.0 112.259 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.76 1.91 24.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.54 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -118.39 147.98 42.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -122.9 177.18 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.7 t -149.69 150.77 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.471 HD21 HD21 ' A' ' 107' ' ' LEU . 14.0 tp -127.14 119.72 27.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.2 m -105.89 142.29 35.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.625 HG11 ' CG1' ' A' ' 105' ' ' VAL . 84.4 t -140.15 133.72 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' CD1' HG22 ' A' ' 62' ' ' VAL . 17.6 tp -89.95 96.04 10.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.1 p -61.13 156.41 18.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 6.6 t70 -78.61 2.08 20.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -90.56 115.05 63.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.485 0.659 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 145.5 57.25 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -56.35 -47.05 79.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.22 -60.19 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.81 -146.95 5.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 85.44 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.677 2.251 . . . . 0.0 112.363 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.19 -24.98 1.41 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.3 p -78.46 153.48 78.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.692 0.758 . . . . 0.0 110.826 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 115.03 3.91 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.314 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 44.4 mt -37.25 145.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.006 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -66.25 150.25 49.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.429 HG22 ' CD1' ' A' ' 48' ' ' LEU . 69.1 t -119.99 112.49 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.426 HG22 HG13 ' A' ' 65' ' ' ILE . 88.1 m -85.61 122.87 30.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.189 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -101.77 106.84 17.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.546 HD13 HD13 ' A' ' 97' ' ' ILE . 26.4 mt -112.31 102.07 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.531 ' HE3' ' CD1' ' B' ' 8' ' ' PTR . 5.8 ptpp? -64.4 132.35 49.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.7 t -101.04 112.09 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.473 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 45.7 mtm -80.49 157.1 26.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.7 t -126.33 138.08 53.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -128.77 75.1 1.62 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.3 58.17 5.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.43 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.9 -45.33 2.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -71.39 174.7 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.684 ' CE2' HD22 ' A' ' 85' ' ' LEU . 30.2 m-85 -137.88 141.27 40.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 t -144.16 161.26 39.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.144 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.553 ' HB ' HD21 ' B' ' 11' ' ' LEU . 2.2 m -126.16 86.7 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.473 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 76.59 -56.65 3.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.412 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.44 165.74 31.47 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.7 mt -76.44 -23.13 53.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.344 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -50.09 177.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.8 p -155.34 170.07 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.261 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.513 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 58.3 m-85 -146.54 141.63 27.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -39.54 -54.13 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.43 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 17.2 p -161.67 -178.4 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.684 HD22 ' CE2' ' A' ' 74' ' ' TYR . 4.1 mm? -46.9 -30.8 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.1 m -67.49 -60.63 2.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -57.11 -37.06 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.513 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -68.76 -62.67 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 85' ' ' LEU . 84.1 t -53.73 -58.19 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -44.41 -57.75 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -54.65 -23.91 19.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.562 ' CD1' HG13 ' A' ' 97' ' ' ILE . 4.5 m-85 -93.65 -15.66 25.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -74.83 -19.67 60.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.425 ' HG3' HG23 ' A' ' 95' ' ' THR . 21.6 pttt -105.85 -36.06 7.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.425 HG23 ' HG3' ' A' ' 94' ' ' LYS . 70.9 p -87.95 -56.11 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.04 153.07 25.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.427 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.562 HG13 ' CD1' ' A' ' 92' ' ' PHE . 24.2 mt -101.04 139.5 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.335 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.488 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 51.4 tt0 -111.86 118.58 35.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.487 ' OE2' ' HB3' ' A' ' 103' ' ' ALA . 1.7 mp0 -87.67 135.39 33.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -40.37 -52.92 2.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 m -40.24 -39.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.16 28.84 1.18 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.487 ' HB3' ' OE2' ' A' ' 99' ' ' GLU . . . -112.1 152.01 28.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.488 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.7 m-85 -121.69 106.8 11.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.625 ' CG1' HG11 ' A' ' 47' ' ' VAL . 95.6 t -80.43 128.28 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.117 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.566 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.9 m-85 -113.76 128.34 56.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.671 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.3 mp -105.36 87.37 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.457 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 39.3 mtp180 -81.05 -50.01 10.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -141.94 144.06 30.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.549 0.69 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.542 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.8 Cg_endo -69.79 -164.64 0.13 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.685 2.257 . . . . 0.0 112.32 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.438 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 89.7 t80 -133.98 102.59 5.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.542 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 7.2 m-85 -86.52 111.58 20.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.6 t -64.35 -55.09 23.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.784 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 102.41 141.94 12.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.479 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 -15.34 36.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.643 2.229 . . . . 0.0 112.343 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.1 t -57.7 -48.7 78.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 79.4 p -39.33 -54.2 1.88 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.811 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.198 -0.779 . . . . 0.0 112.518 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.4 ttp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.791 0.329 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -108.27 136.0 48.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -52.01 150.55 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -70.0 128.76 37.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.82 131.88 2.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.439 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -120.41 140.94 42.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.806 0.336 . . . . 0.0 111.187 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.401 HG22 ' N ' ' B' ' 8' ' ' PTR . 9.7 mm -69.74 153.97 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' PTR . . . . . 0.531 ' CD1' ' HE3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.414 ' HB2' HG23 ' A' ' 63' ' ' THR . 17.0 m -89.06 100.08 12.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.3 177.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.553 HD21 ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -107.41 -174.84 2.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.508 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 1.6 p-10 -80.1 -53.72 6.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.641 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -43.02 -51.71 12.63 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.4 Cg_endo -69.78 110.5 2.57 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.287 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.155 0 C-N-CA 122.639 2.226 . . . . 0.0 112.38 179.893 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.616 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -123.26 24.73 8.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.807 0.337 . . . . 0.0 110.915 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.404 ' OH ' ' CG ' ' A' ' 35' ' ' GLU . 6.2 t80 -98.01 114.3 26.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -92.59 -57.97 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.28 -127.88 9.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -46.06 119.14 2.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.5 ttm -174.7 150.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.5 m -109.75 152.61 25.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.43 -69.48 0.77 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.457 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.86 -27.12 3.15 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.493 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.742 ' HG2' HD11 ' A' ' 21' ' ' LEU . 26.4 tt0 -68.6 -65.3 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.69 0.281 . . . . 0.0 110.858 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HA ' HD13 ' A' ' 21' ' ' LEU . . . -37.35 -50.45 1.04 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.435 ' HA ' HG21 ' A' ' 62' ' ' VAL . 8.5 mt-10 -46.18 -49.01 17.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.3 m -60.29 -62.84 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.767 ' H ' HD12 ' A' ' 21' ' ' LEU . 4.5 mp -46.45 -47.1 19.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.44 -65.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -45.63 -35.85 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.77 97.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -34.72 67.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.98 29.62 73.08 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.418 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -118.97 123.56 28.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 143.4 50.4 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.741 2.294 . . . . 0.0 112.295 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.505 ' CD2' ' HB2' ' A' ' 106' ' ' TYR . 6.9 m95 67.26 31.06 6.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.6 m -92.33 97.03 10.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.792 ' CB ' HD23 ' A' ' 107' ' ' LEU . 26.3 p90 -88.74 159.08 17.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.831 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.589 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -163.0 130.51 3.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.616 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 17.8 t -91.35 139.9 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.419 ' NH1' HG11 ' A' ' 44' ' ' VAL . 2.9 ptm180 -150.05 148.33 28.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.404 ' CG ' ' OH ' ' A' ' 9' ' ' TYR . 33.2 mt-10 -80.78 125.07 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.863 -179.78 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.556 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 13.5 t70 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.849 0.356 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 42' ' ' ASP . 3.6 m-85 -145.82 176.09 9.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.419 HG11 ' NH1' ' A' ' 34' ' ' ARG . 74.6 t -145.84 136.68 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.8 tp -111.47 97.16 6.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.0 m -87.47 138.36 31.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.693 HG11 ' CG1' ' A' ' 105' ' ' VAL . 71.8 t -143.25 133.85 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.166 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.0 tp -89.62 96.11 10.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.6 p -58.01 152.57 16.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.414 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 20.2 t70 -77.18 1.23 18.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.954 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -90.85 112.54 54.01 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.529 0.681 . . . . 0.0 110.923 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.52 68.18 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -57.91 -45.19 86.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.932 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.75 -72.91 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -147.72 -154.31 6.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 83.75 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.712 2.275 . . . . 0.0 112.361 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.58 -26.24 0.52 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -76.06 155.78 84.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.675 0.75 . . . . 0.0 110.842 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 114.43 3.71 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.63 2.22 . . . . 0.0 112.331 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.1 mt -39.05 146.38 0.08 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -70.04 153.94 42.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.435 HG21 ' HA ' ' A' ' 19' ' ' GLU . 4.6 t -117.29 124.52 73.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.607 HG21 HG21 ' A' ' 105' ' ' VAL . 53.2 m -95.52 108.48 20.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -96.79 114.51 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.9 mt -123.44 122.69 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -74.6 125.73 29.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 50.3 t -100.73 101.5 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.8 mtm -66.73 169.91 7.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.7 t -136.0 132.08 35.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -122.15 87.99 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.77 52.13 54.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.78 -38.66 3.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.499 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -75.4 174.67 9.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.527 ' CD2' HD22 ' A' ' 85' ' ' LEU . 29.4 m-85 -138.13 148.18 44.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 t -148.3 160.48 42.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 76' ' ' VAL . 34.9 m -125.77 91.13 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 48.65 18.24 0.96 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.443 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -124.22 163.54 17.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.462 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 76.7 mt -76.21 -20.43 57.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.26 169.45 15.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.7 p -145.56 172.77 12.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.492 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 78.3 m-85 -148.79 135.9 20.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.05 -52.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.481 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 7.1 t -162.02 178.14 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.579 ' O ' HG23 ' A' ' 89' ' ' VAL . 3.4 mm? -45.76 -30.49 1.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.0 m -65.24 -59.71 3.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -60.76 -38.43 85.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.492 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 8.6 tt -65.7 -65.59 0.66 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 85' ' ' LEU . 91.9 t -50.49 -57.7 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -44.74 -55.61 5.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -57.01 -22.49 39.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.586 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.9 m-85 -93.8 -24.05 17.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -67.99 -17.52 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.507 ' HG3' HG23 ' A' ' 95' ' ' THR . 3.0 ptpt -104.81 -32.87 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.974 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.507 HG23 ' HG3' ' A' ' 94' ' ' LYS . 45.2 p -98.29 -69.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.413 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . 118.21 156.96 10.4 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.586 HG13 ' CD1' ' A' ' 92' ' ' PHE . 21.1 mt -99.42 137.99 25.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.738 0.304 . . . . 0.0 111.176 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.592 ' OE1' ' CD1' ' A' ' 104' ' ' PHE . 4.6 tp10 -102.33 128.98 48.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 102' ' ' GLY . 19.4 mt-10 -97.08 128.95 44.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -34.17 -40.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.0 m -54.15 -48.11 71.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.825 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 133.84 29.2 0.47 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.494 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -116.91 150.05 39.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.352 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.592 ' CD1' ' OE1' ' A' ' 98' ' ' GLU . 10.2 m-85 -118.46 108.36 14.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.693 ' CG1' HG11 ' A' ' 47' ' ' VAL . 77.9 t -73.74 136.16 25.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.187 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.505 ' HB2' ' CD2' ' A' ' 29' ' ' TRP . 18.8 m-85 -117.55 141.46 48.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.792 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.4 mp -122.44 90.63 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.469 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 33.3 mtp85 -85.49 -43.78 13.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -144.44 141.66 18.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 54.0 Cg_endo -69.68 -164.71 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.349 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -130.09 111.25 12.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.517 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 16.9 m-85 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . 0.539 ' O ' HD12 ' B' ' 11' ' ' LEU . 3.3 m-20 -50.33 178.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.628 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 3.2 mp -124.39 -174.33 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.544 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -115.02 27.29 9.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.775 0.321 . . . . 0.0 110.892 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -105.6 125.1 50.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -108.48 -61.92 1.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 12' ' ' HIS . . . 85.59 167.36 43.3 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.468 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 11' ' ' GLY . 10.5 m80 36.98 47.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.6 ttm -130.28 137.9 50.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 p -95.47 179.36 5.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.94 -61.29 4.1 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.5 -29.65 1.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.511 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.823 ' HG3' HD11 ' A' ' 21' ' ' LEU . 32.4 tp60 -72.7 -64.7 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -38.63 -43.21 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.426 ' HA ' HG21 ' A' ' 62' ' ' VAL . 6.7 mt-10 -54.59 -45.6 73.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 78.5 m -64.43 -56.04 16.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.823 HD11 ' HG3' ' A' ' 17' ' ' GLN . 4.9 mp -53.92 -52.48 60.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.495 ' CG ' HD23 ' A' ' 32' ' ' LEU . 30.6 mt -59.0 -62.53 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -47.8 -49.1 29.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.74 -41.74 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -55.34 -35.39 65.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.65 28.61 71.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -116.17 121.92 32.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 143.22 50.03 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.351 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.53 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.1 m95 70.42 28.11 3.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.2 m -90.28 99.4 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.565 ' CB ' HD23 ' A' ' 107' ' ' LEU . 21.4 p90 -91.71 162.76 14.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.495 HD23 ' CG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -163.56 137.34 5.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.588 HG11 ' HG ' ' A' ' 85' ' ' LEU . 21.8 t -98.31 136.79 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.605 ' NH2' HG11 ' A' ' 44' ' ' VAL . 48.4 ptt85 -148.85 164.25 35.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -96.59 166.29 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.805 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.427 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 8.9 m-85 -129.66 175.29 8.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.605 HG11 ' NH2' ' A' ' 34' ' ' ARG . 24.8 t -148.78 143.84 18.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.4 tp -119.87 117.66 28.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 m -107.87 145.18 34.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.615 HG11 ' CG1' ' A' ' 105' ' ' VAL . 97.0 t -146.75 141.89 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.498 ' CD1' HG22 ' A' ' 62' ' ' VAL . 16.9 tp -98.74 97.93 9.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 p -60.2 150.47 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -72.29 -4.99 32.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.889 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 44.6 mt-30 -84.27 112.33 40.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.587 0.708 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 51' ' ' GLN . 54.3 Cg_endo -69.82 147.43 62.47 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 5.9 mtpm? -54.83 -57.24 12.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.62 -45.99 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.99 -147.75 9.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 88.22 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.296 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.5 -30.05 1.3 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.529 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 p -79.18 155.3 77.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.685 0.755 . . . . 0.0 110.859 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 114.64 3.76 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.752 2.301 . . . . 0.0 112.327 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.9 mt -37.31 149.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.5 tpt85 -69.63 147.48 50.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.498 HG22 ' CD1' ' A' ' 48' ' ' LEU . 42.1 t -115.4 125.5 72.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.7 m -99.45 117.83 34.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -105.85 114.68 28.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.592 HD13 HG21 ' A' ' 97' ' ' ILE . 16.1 mt -118.43 131.38 71.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -72.39 141.59 48.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.0 t -115.42 99.36 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.431 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 29.4 mtm -71.7 157.9 37.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 46.7 t -116.5 115.13 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -101.89 88.72 3.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 49.98 69.33 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.07 -34.63 2.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -81.35 -178.27 6.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.663 ' CD2' HD22 ' A' ' 85' ' ' LEU . 27.4 m-85 -140.11 147.14 39.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.6 t -152.06 163.33 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 76' ' ' VAL . 9.2 m -126.36 86.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.093 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.431 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 81.74 -76.05 2.24 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.475 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.75 176.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.9 mt -84.65 -17.65 37.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.829 0.347 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.431 ' O ' ' CG2' ' A' ' 81' ' ' THR . 17.8 mt-10 -46.34 172.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 80.7 p -158.87 153.01 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.509 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 64.4 m-85 -134.09 140.46 46.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -45.81 -33.26 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.9 m -172.97 -177.6 1.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.663 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.7 mm? -52.06 -28.33 16.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.9 m -66.07 -58.68 4.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.455 ' CB ' ' HB3' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -58.4 -35.01 71.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.509 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.2 tt -69.9 -59.83 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 85' ' ' LEU . 65.7 t -58.32 -61.73 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -43.56 -54.94 4.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -61.01 -22.89 64.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 89' ' ' VAL . 4.4 m-85 -93.7 -15.27 25.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -74.31 -16.59 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.475 ' HG3' HG23 ' A' ' 95' ' ' THR . 24.5 pttt -106.33 -37.47 6.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.475 HG23 ' HG3' ' A' ' 94' ' ' LYS . 72.9 p -90.09 -45.39 9.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.36 169.18 40.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.592 HG21 HD13 ' A' ' 65' ' ' ILE . 20.7 mt -110.54 136.11 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.158 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.545 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 25.1 tt0 -105.62 111.48 24.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 102' ' ' GLY . 77.8 mt-10 -69.91 137.5 51.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 99' ' ' GLU . . . -34.33 -58.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -47.7 -43.27 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 146.53 -35.24 1.33 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.458 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.39 152.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 0.0 111.109 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.9 m-85 -125.05 120.54 31.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.813 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.615 ' CG1' HG11 ' A' ' 47' ' ' VAL . 98.2 t -90.46 136.51 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.53 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.1 m-85 -119.88 133.12 55.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.565 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.1 mp -111.51 90.3 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -85.82 -48.65 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.2 pm0 -142.59 142.2 22.5 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.548 0.69 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 53.6 Cg_endo -69.76 -164.17 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 77.5 t80 -130.67 125.04 32.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.983 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.88 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.833 0.349 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.66 -177.43 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.81 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.479 ' CD1' ' N ' ' B' ' 11' ' ' LEU . 0.4 OUTLIER -113.91 172.49 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.539 ' C ' ' ND2' ' B' ' 12' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.473 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -116.22 25.43 10.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.713 0.292 . . . . 0.0 110.829 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -97.18 121.78 39.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.546 ' CD2' HD13 ' A' ' 32' ' ' LEU . 54.5 m-70 -97.41 -53.04 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.99 -106.79 3.43 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.415 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 1.1 p80 -69.43 107.38 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.2 ttp -175.12 131.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.2 m -84.84 -178.6 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.797 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 17' ' ' GLN . . . -70.35 -73.03 0.81 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.39 -26.38 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.543 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.802 ' HG2' HD11 ' A' ' 21' ' ' LEU . 19.6 tt0 -67.23 -65.97 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -37.98 -39.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.442 ' HG2' HG21 ' A' ' 62' ' ' VAL . 10.0 mt-10 -58.25 -43.27 87.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' GLN . 70.5 m -68.48 -44.99 73.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.802 HD11 ' HG2' ' A' ' 17' ' ' GLN . 5.1 mp -64.81 -37.97 89.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.664 HD21 HD23 ' A' ' 32' ' ' LEU . 61.9 mt -76.64 -56.91 4.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.433 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 90.9 mt-30 -53.65 -44.28 69.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.86 -39.27 71.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -61.71 -41.22 97.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.89 24.11 76.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -108.6 122.4 40.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 143.91 52.31 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.556 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.8 m95 67.15 36.47 4.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 99.0 m -99.86 96.68 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.166 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.66 ' CB ' HG22 ' A' ' 47' ' ' VAL . 14.1 p90 -92.15 164.82 13.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.833 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.664 HD23 HD21 ' A' ' 22' ' ' LEU . 1.8 pp -166.76 137.89 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.473 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 59.7 t -93.6 142.0 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -158.82 147.3 18.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -80.11 158.46 26.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.835 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.797 0.332 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.448 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 43.5 m-85 -90.94 155.76 18.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 65' ' ' ILE . 21.2 t -133.79 144.82 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.5 tp -119.06 108.33 14.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.6 m -103.15 134.38 46.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.66 HG22 ' CB ' ' A' ' 31' ' ' PHE . 85.3 t -136.75 143.59 34.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.426 ' CD1' HG22 ' A' ' 62' ' ' VAL . 17.5 tp -98.96 98.92 9.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.4 p -60.15 155.2 17.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.531 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.7 OUTLIER -75.89 -0.49 21.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -90.29 115.67 64.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.537 0.684 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 150.84 68.89 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.655 2.237 . . . . 0.0 112.357 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -57.43 -50.69 72.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.25 -45.93 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.055 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.77 -145.99 7.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 93.02 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.642 2.228 . . . . 0.0 112.322 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 140.96 -31.59 2.18 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.8 p -75.86 153.76 85.01 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.701 0.762 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.433 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.72 115.73 4.22 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.72 2.28 . . . . 0.0 112.384 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 59' ' ' PRO . 46.3 mt -35.62 153.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 -74.79 145.48 42.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.442 HG21 ' HG2' ' A' ' 19' ' ' GLU . 21.4 t -112.09 135.95 49.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 65.1 m -111.27 108.36 17.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.411 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 75.7 m-70 -91.98 119.74 31.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.519 ' O ' HG13 ' A' ' 44' ' ' VAL . 37.5 mt -118.27 129.01 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -85.4 104.09 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.9 t -79.02 115.03 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.413 ' HE3' ' H ' ' A' ' 77' ' ' GLY . 25.7 mtm -86.49 149.62 24.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.3 t -111.46 120.06 40.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -108.82 84.92 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.29 54.11 36.98 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.98 -36.4 3.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -80.37 166.65 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.697 ' CD2' HD22 ' A' ' 85' ' ' LEU . 24.1 m-85 -121.6 139.92 52.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.988 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.6 t -139.97 148.07 41.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 76' ' ' VAL . 30.0 m -112.62 88.04 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.413 ' H ' ' HE3' ' A' ' 68' ' ' MET . . . 46.94 28.43 3.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -133.77 160.69 24.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.24 -19.27 62.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.46 177.62 3.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.7 p -151.03 171.33 17.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 84.0 m-85 -148.39 127.72 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 82' ' ' PHE . 3.4 m-20 -34.44 -55.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.443 ' HA ' ' CE2' ' A' ' 74' ' ' TYR . 6.9 t -153.61 -175.3 5.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.697 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.4 mm? -54.49 -33.76 60.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.9 m -60.98 -56.84 16.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.22 -44.22 95.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.893 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.9 tt -63.6 -65.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 85' ' ' LEU . 96.5 t -50.7 -58.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -45.51 -56.42 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -56.24 -21.34 22.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.548 ' HD2' HD23 ' A' ' 88' ' ' LEU . 4.6 m-85 -93.79 -24.19 17.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -67.21 -20.71 65.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.453 ' HG3' HG23 ' A' ' 95' ' ' THR . 7.1 pttp -104.73 -41.0 5.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.453 HG23 ' HG3' ' A' ' 94' ' ' LYS . 68.1 p -82.16 -55.0 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.33 162.61 21.72 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.46 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.502 HG13 ' CD1' ' A' ' 92' ' ' PHE . 46.3 mt -116.39 133.1 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.552 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 17.9 tt0 -104.92 133.64 49.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -95.08 143.15 26.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -38.01 -65.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.7 p -41.5 -37.11 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.13 -32.54 2.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.43 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.85 154.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.1 m-85 -126.66 120.25 29.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.65 ' CG1' HG11 ' A' ' 47' ' ' VAL . 93.6 t -92.28 134.66 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.556 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.7 m-85 -121.92 137.11 54.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.645 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.7 mp -113.28 99.96 8.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.826 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.463 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 37.4 mtp180 -96.77 -45.38 6.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -143.54 143.5 24.06 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.548 0.69 . . . . 0.0 110.956 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -164.08 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.472 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 91.2 t80 -141.89 109.88 5.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 -179.887 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.836 0.351 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.83 -175.09 3.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.462 HD21 ' CG2' ' A' ' 97' ' ' ILE . 63.2 mt -111.68 -175.14 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.68 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -115.05 26.91 9.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 0.0 110.943 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -106.91 99.15 8.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -71.86 -60.47 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.3 -114.94 2.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.513 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 3.3 p80 -76.35 119.95 20.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 110.84 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.459 ' HG2' ' N ' ' A' ' 14' ' ' SER . 35.5 ttm -173.49 149.83 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.459 ' N ' ' HG2' ' A' ' 13' ' ' MET . 6.7 p -108.18 159.15 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -49.06 -60.53 6.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.4 -36.44 2.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.533 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.731 ' HG3' HD11 ' A' ' 21' ' ' LEU . 11.5 tp60 -71.22 -64.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -38.28 -44.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.481 ' HA ' HG21 ' A' ' 62' ' ' VAL . 8.6 mt-10 -55.72 -46.1 77.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.1 m -63.19 -50.99 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.731 HD11 ' HG3' ' A' ' 17' ' ' GLN . 5.2 mp -58.28 -47.11 84.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.462 HD21 HD23 ' A' ' 32' ' ' LEU . 35.2 mt -64.58 -58.12 7.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -53.28 -36.06 60.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.67 -32.29 73.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -66.49 -41.98 88.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.801 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.33 3.03 60.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -90.12 118.83 69.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 142.04 46.92 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.481 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.3 m95 73.58 26.57 1.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.1 m -89.01 100.38 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.793 ' CB ' HD23 ' A' ' 107' ' ' LEU . 18.4 p90 -93.49 152.48 19.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -156.23 134.89 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.68 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 17.1 t -92.71 141.54 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -150.08 162.01 41.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -94.11 138.97 31.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.748 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.864 0.364 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.519 ' CZ ' ' OH ' ' A' ' 74' ' ' TYR . 6.0 m-85 -118.24 171.48 8.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.3 t -145.44 141.79 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 tp -116.71 122.04 43.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -107.49 148.59 28.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.791 HG11 ' CG1' ' A' ' 105' ' ' VAL . 74.0 t -152.37 133.23 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 22' ' ' LEU . 18.1 tp -91.2 96.89 10.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 p -57.18 152.24 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.479 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 14.4 t70 -77.51 1.19 20.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -96.47 121.04 61.11 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.555 0.693 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 147.62 63.69 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.383 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -54.74 -45.42 74.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.42 -49.01 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.044 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.408 ' HA3' ' HD2' ' A' ' 56' ' ' PRO . . . 176.82 -148.12 8.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.408 ' HD2' ' HA3' ' A' ' 55' ' ' GLY . 53.2 Cg_endo -69.77 86.24 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.3 -27.5 1.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.53 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.1 p -82.59 153.47 67.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.683 0.754 . . . . 0.0 110.816 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.0 Cg_endo -69.76 116.25 4.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' PRO . 57.9 mt -33.94 146.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -73.42 147.17 44.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' CE1' ' A' ' 64' ' ' HIS . 60.9 t -112.48 117.74 56.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.478 HG21 HG21 ' A' ' 105' ' ' VAL . 96.0 m -88.98 109.83 20.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.5 ' CE1' ' CG1' ' A' ' 62' ' ' VAL . 76.6 m-70 -99.3 109.29 21.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.427 HD13 HD13 ' A' ' 97' ' ' ILE . 18.3 mt -111.28 128.25 67.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -72.59 134.56 45.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.2 t -109.88 94.29 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.482 ' HE3' ' H ' ' A' ' 77' ' ' GLY . 28.7 mtm -73.17 165.27 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 33.4 t -122.6 126.58 48.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -129.06 118.45 22.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.45 27.9 68.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.06 -19.59 52.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.416 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.431 ' CB ' ' HB ' ' A' ' 81' ' ' THR . 1.7 mpt_? -88.96 -178.38 5.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.706 ' CD2' HD22 ' A' ' 85' ' ' LEU . 31.7 m-85 -120.63 143.98 48.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -142.87 169.76 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 76' ' ' VAL . 9.6 m -134.64 88.88 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.482 ' H ' ' HE3' ' A' ' 68' ' ' MET . . . 53.37 20.1 9.93 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -132.62 165.47 23.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.553 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.7 mt -76.6 -15.83 59.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.736 0.303 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -67.6 168.52 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.431 ' HB ' ' CB ' ' A' ' 73' ' ' ARG . 65.6 p -151.62 158.26 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 60.0 m-85 -135.11 131.66 37.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 82' ' ' PHE . 2.0 m-20 -34.27 -43.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.485 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 3.1 m -166.63 176.99 6.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.706 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.1 mm? -45.13 -29.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.0 m -67.11 -57.11 7.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.81 -29.56 68.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.542 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 8.4 tt -77.06 -64.85 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.652 HG11 ' CE2' ' A' ' 31' ' ' PHE . 96.8 t -53.1 -58.0 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -44.9 -57.99 3.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -54.23 -22.14 10.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.496 ' CD1' HG13 ' A' ' 97' ' ' ILE . 2.6 m-85 -93.56 -21.0 19.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.4 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 35.3 mtmt -71.92 -15.32 62.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.553 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.0 pttt -106.23 -36.68 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.553 HG23 ' HG3' ' A' ' 94' ' ' LYS . 72.3 p -95.24 -63.0 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.51 158.6 16.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.541 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.496 HG13 ' CD1' ' A' ' 92' ' ' PHE . 22.1 mt -99.59 146.32 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 111.181 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 29.7 tt0 -119.0 111.53 18.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -78.36 136.96 37.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -43.0 -55.72 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 100' ' ' ALA . 1.7 t -37.04 -48.79 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.09 29.92 0.33 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -114.72 155.62 26.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.52 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 10.5 m-85 -124.81 117.14 23.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.791 ' CG1' HG11 ' A' ' 47' ' ' VAL . 85.1 t -88.19 136.98 21.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.481 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 20.0 m-85 -121.07 143.42 49.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.793 HD23 ' CB ' ' A' ' 31' ' ' PHE . 2.4 mp -121.86 93.28 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.456 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 22.2 mtp85 -88.39 -49.03 7.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -140.37 143.48 33.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.72 . . . . 0.0 110.962 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.507 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.82 -166.79 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -132.03 112.11 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.507 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.3 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.469 ' HB2' HG23 ' A' ' 63' ' ' THR . 3.1 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.888 0.375 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . 0.497 ' O ' HD12 ' B' ' 11' ' ' LEU . 1.5 m-20 -61.65 -179.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 2.6 mp -119.53 -174.28 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.874 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.55 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -114.42 28.64 8.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.75 0.31 . . . . 0.0 110.93 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -104.86 110.23 22.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -85.54 -53.24 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.2 -92.17 1.08 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -75.11 97.91 3.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 110.816 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.6 ttm -153.74 152.82 31.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.4 m -120.44 155.76 32.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.75 -69.29 0.89 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.538 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.51 -30.26 3.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.781 ' HG2' HD11 ' A' ' 21' ' ' LEU . 6.8 tt0 -72.63 -65.34 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 110.963 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -35.69 -46.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.459 ' HA ' HG21 ' A' ' 62' ' ' VAL . 25.0 mt-10 -57.11 -47.18 81.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' GLN . 91.4 m -60.05 -47.44 85.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.781 HD11 ' HG2' ' A' ' 17' ' ' GLN . 5.2 mp -61.18 -47.09 87.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.421 HD13 HG13 ' A' ' 62' ' ' VAL . 44.0 mt -66.47 -63.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.416 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 95.2 mt-30 -48.2 -47.91 35.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.46 -42.65 74.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -55.63 -34.89 65.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.97 22.2 64.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -108.53 120.59 45.94 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.635 0.731 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 143.36 50.31 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.566 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.8 m95 69.07 32.99 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 85.2 m -97.11 97.26 9.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.683 ' CB ' HG22 ' A' ' 47' ' ' VAL . 26.8 p90 -91.55 155.5 18.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.525 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -158.93 129.8 6.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.55 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 6.0 t -88.81 143.02 12.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.059 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -153.74 124.89 7.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -39.82 160.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.42 ' HB2' ' C ' ' A' ' 42' ' ' ASP . 1.1 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.42 ' C ' ' HB2' ' A' ' 36' ' ' SER . 23.3 t70 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.79 0.328 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -130.86 172.29 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.5 t -144.76 145.58 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.637 HD21 HD21 ' A' ' 107' ' ' LEU . 15.5 tp -118.61 90.19 3.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 t -84.63 136.41 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.83 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.683 HG22 ' CB ' ' A' ' 31' ' ' PHE . 74.9 t -140.05 140.7 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.415 HD22 ' O ' ' A' ' 22' ' ' LEU . 23.3 tp -95.26 96.14 8.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 p -59.21 144.59 45.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.553 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.5 OUTLIER -68.17 -3.5 10.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -87.62 115.91 64.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.516 0.674 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 150.72 68.65 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.33 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -59.49 -46.17 89.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.09 -48.97 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.01 -148.62 9.02 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.495 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 83.15 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.71 -24.97 0.74 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.427 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.5 p -84.6 153.2 61.29 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 60' ' ' LEU . 53.8 Cg_endo -69.72 114.1 3.59 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.3 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 59' ' ' PRO . 83.6 mt -34.52 147.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -70.04 146.27 51.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.459 HG21 ' HA ' ' A' ' 19' ' ' GLU . 59.3 t -113.34 115.16 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.514 HG21 HG21 ' A' ' 105' ' ' VAL . 78.6 m -85.82 121.64 28.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -107.58 106.52 16.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.7 mt -114.28 125.2 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -78.3 136.14 37.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.952 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 74' ' ' TYR . 21.4 t -108.46 99.31 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.454 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 20.5 mtm -67.54 151.1 47.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.2 t -131.58 115.84 16.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -112.65 103.89 11.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.91 -42.45 2.7 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 174.72 -26.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -79.95 164.79 23.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.371 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.633 ' CD2' HD22 ' A' ' 85' ' ' LEU . 28.5 m-85 -118.35 141.98 47.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.1 t -147.72 156.58 42.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 76' ' ' VAL . 8.2 m -121.39 87.55 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.454 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 50.64 23.77 7.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.489 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.24 158.93 21.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 23.5 mt -71.91 -17.01 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 81' ' ' THR . 9.6 mt-10 -67.54 178.96 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 64.0 p -160.13 158.12 29.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 63.8 m-85 -138.88 145.56 40.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.26 -51.95 30.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.504 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 3.2 m -158.04 179.22 9.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.633 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.4 mm? -47.72 -33.42 6.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.7 m -65.1 -55.03 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -62.02 -37.19 83.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.505 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.7 tt -70.57 -65.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 85' ' ' LEU . 72.4 t -48.81 -57.75 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -44.94 -55.42 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -58.01 -21.6 45.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.453 ' HD2' HD23 ' A' ' 88' ' ' LEU . 4.0 m-85 -93.64 -24.52 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -66.54 -17.8 65.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HG3' HG23 ' A' ' 95' ' ' THR . 12.2 ptpt -106.43 -37.08 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.473 HG23 ' HG3' ' A' ' 94' ' ' LYS . 65.0 p -90.12 -59.99 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.59 155.89 23.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.578 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 22.9 mt -98.83 143.78 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.731 0.3 . . . . 0.0 111.149 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.416 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 26.8 tt0 -113.45 111.34 21.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -78.58 137.45 37.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -38.68 -55.87 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.4 p -40.9 -39.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 126.36 21.55 1.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -99.5 156.56 16.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 111.084 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.416 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 9.9 m-85 -127.73 103.75 7.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.679 ' CG1' HG11 ' A' ' 47' ' ' VAL . 90.0 t -76.29 136.57 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.566 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.5 m-85 -117.6 126.02 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.637 HD21 HD21 ' A' ' 45' ' ' LEU . 2.2 mp -102.11 75.78 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.518 ' HG3' ' CD1' ' A' ' 29' ' ' TRP . 2.5 mmp_? -72.26 -57.39 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 -134.05 142.35 43.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 53.4 Cg_endo -69.7 -163.67 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.473 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 67.5 t80 -142.58 115.62 8.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.87 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.915 0.388 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . 0.544 ' C ' HD12 ' B' ' 11' ' ' LEU . 0.5 OUTLIER -70.61 -175.59 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.544 HD12 ' C ' ' B' ' 10' ' ' ASP . 0.7 OUTLIER -115.95 -174.71 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 p30 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.414 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 0.1 OUTLIER -106.69 29.73 6.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.774 0.321 . . . . 0.0 110.935 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -104.06 119.47 39.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -97.64 -63.28 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.27 -123.36 5.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.529 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -61.29 115.29 3.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.825 0.345 . . . . 0.0 110.829 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.5 tpp -159.63 152.35 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.5 m -107.39 145.81 32.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.82 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.41 -72.98 0.25 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.42 -26.22 0.95 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.459 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.821 ' HG3' HD11 ' A' ' 21' ' ' LEU . 7.5 tp60 -66.5 -64.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.39 -50.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.573 ' HA ' HG21 ' A' ' 62' ' ' VAL . 13.5 mt-10 -47.25 -49.46 23.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 m -60.78 -62.48 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.821 HD11 ' HG3' ' A' ' 17' ' ' GLN . 4.8 mp -46.32 -52.53 12.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.537 HD21 HD23 ' A' ' 32' ' ' LEU . 18.7 mt -59.5 -67.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.98 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.423 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 72.2 mt-30 -41.85 -43.18 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.23 -41.59 72.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -36.96 75.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.96 27.06 70.74 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -114.59 122.04 34.73 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 142.76 49.01 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.77 2.313 . . . . 0.0 112.327 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.528 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 6.3 m95 71.38 26.64 3.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.4 m -90.2 96.68 10.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.209 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.664 ' CB ' HD23 ' A' ' 107' ' ' LEU . 21.1 p90 -90.98 165.35 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.537 HD23 HD21 ' A' ' 22' ' ' LEU . 2.9 pp -167.9 138.36 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.424 HG11 ' HG ' ' A' ' 85' ' ' LEU . 36.1 t -98.03 145.22 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.458 ' HD3' HD11 ' A' ' 32' ' ' LEU . 41.9 ptt85 -157.87 115.87 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' ARG . 2.2 tt0 -36.96 155.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 -179.758 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.442 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 9.4 t70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.445 ' CZ ' ' OH ' ' A' ' 74' ' ' TYR . 12.5 m-85 -141.97 173.46 11.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.9 t -136.42 136.16 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.182 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.4 tp -118.29 104.58 10.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.3 m -99.71 141.06 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.638 HG11 HG13 ' A' ' 105' ' ' VAL . 74.4 t -142.96 135.23 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.44 HD11 ' O ' ' A' ' 60' ' ' LEU . 16.9 tp -89.02 97.75 11.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.5 p -56.63 158.26 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.791 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.528 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 5.1 t70 -83.39 2.09 38.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -94.33 110.41 48.43 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.55 0.691 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 153.98 68.14 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.712 2.274 . . . . 0.0 112.289 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -60.05 -55.05 38.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -116.38 -60.45 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -148.06 -154.28 6.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -19.16 36.46 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.638 2.225 . . . . 0.0 112.305 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -91.18 -17.23 51.51 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.8 p -84.59 152.71 60.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.678 0.751 . . . . 0.0 110.792 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.423 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.81 142.0 46.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.263 . . . . 0.0 112.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.44 ' O ' HD11 ' A' ' 48' ' ' LEU . 72.4 mt -64.91 142.12 58.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -66.27 150.41 48.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.573 HG21 ' HA ' ' A' ' 19' ' ' GLU . 18.1 t -115.16 127.68 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.1 m -100.76 110.14 22.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.199 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -94.16 123.21 37.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.4 mt -131.86 112.91 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -71.26 113.4 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.5 t -82.06 115.92 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.149 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.454 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 42.7 mtm -77.39 174.55 10.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 31.7 t -141.71 114.98 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.03 82.12 5.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.14 -74.07 1.47 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -128.57 -14.63 2.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.45 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -103.39 -178.79 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.736 ' CE2' HD22 ' A' ' 85' ' ' LEU . 26.4 m-85 -125.96 150.54 47.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.8 t -156.18 154.57 31.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 76' ' ' VAL . 13.5 m -123.69 86.06 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.454 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 77.01 -50.52 3.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.59 163.01 49.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 77.9 mt -75.99 -21.18 57.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.963 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -52.54 173.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.5 p -153.06 164.78 37.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.493 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 77.8 m-85 -143.15 135.61 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 82' ' ' PHE . 4.4 m-20 -37.8 -39.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 t -174.63 -178.73 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.736 HD22 ' CE2' ' A' ' 74' ' ' TYR . 3.6 mm? -44.96 -32.64 1.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.9 m -64.42 -59.67 4.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.11 -37.57 74.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.493 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.2 tt -69.55 -64.12 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 85' ' ' LEU . 72.3 t -53.18 -59.73 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -44.61 -59.8 2.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -55.21 -21.03 12.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -93.66 -15.9 24.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -77.17 -16.21 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.479 ' HG3' HG23 ' A' ' 95' ' ' THR . 5.9 ptpt -105.98 -35.62 7.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.479 HG23 ' HG3' ' A' ' 94' ' ' LYS . 73.2 p -93.2 -54.62 3.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.09 167.74 21.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.422 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 50.5 mt -113.82 125.1 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.761 0.315 . . . . 0.0 111.157 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.609 ' CD ' ' CE2' ' A' ' 104' ' ' PHE . 4.9 tp10 -95.14 120.45 35.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -88.29 156.45 19.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -58.9 -54.71 44.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -39.93 -42.28 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 128.72 25.55 1.01 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -108.97 159.16 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 111.081 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.609 ' CE2' ' CD ' ' A' ' 98' ' ' GLU . 8.7 m-85 -124.51 103.48 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.638 HG13 HG11 ' A' ' 47' ' ' VAL . 78.1 t -73.54 139.53 19.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.509 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 19.7 m-85 -122.59 140.81 52.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.664 HD23 ' CB ' ' A' ' 31' ' ' PHE . 2.0 mp -118.95 90.45 3.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.969 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.467 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 21.5 mtm180 -86.42 -45.32 11.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -145.98 142.24 17.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.528 0.68 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.534 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 54.1 Cg_endo -69.75 -164.05 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.39 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -133.5 107.22 7.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.968 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.534 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 35.0 m-85 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.3 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.46 164.6 12.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.599 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 0.5 OUTLIER -93.37 -173.25 3.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.865 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.479 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -116.61 29.14 8.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.783 0.325 . . . . 0.0 110.891 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -101.73 123.71 46.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.983 0.42 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -104.84 -62.12 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.47 -109.52 2.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -57.29 106.35 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.756 0.312 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.8 ttm -172.45 147.48 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.0 p -118.98 154.95 32.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -41.15 -51.44 4.3 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.536 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.38 -50.27 57.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.807 ' O ' HD12 ' A' ' 21' ' ' LEU . 16.4 tp60 -59.39 -61.77 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -39.78 -46.61 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.533 ' HA ' HG21 ' A' ' 62' ' ' VAL . 6.6 mt-10 -55.34 -46.72 76.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -60.27 -54.7 42.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 17' ' ' GLN . 5.0 mp -55.31 -49.77 71.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.983 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.782 HD21 HD23 ' A' ' 32' ' ' LEU . 38.7 mt -60.69 -61.22 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.469 ' CG ' ' HB2' ' A' ' 59' ' ' PRO . 92.8 mt-30 -49.89 -56.85 8.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.56 -44.89 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -58.19 -37.99 75.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 64.36 27.87 72.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -107.67 120.22 47.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.671 0.748 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 143.01 49.54 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.402 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.5 m95 66.62 35.79 5.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 96.7 m -99.78 98.65 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.065 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.653 ' CB ' HD23 ' A' ' 107' ' ' LEU . 24.4 p90 -92.81 163.43 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.782 HD23 HD21 ' A' ' 22' ' ' LEU . 3.4 pp -167.2 133.8 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.479 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 61.6 t -92.18 140.74 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -150.8 134.03 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -57.13 166.23 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.5 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.796 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 2.1 m-85 -109.81 168.55 9.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 82.3 t -138.3 134.64 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.9 tp -105.35 122.92 46.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.81 148.03 37.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.734 HG11 HG13 ' A' ' 105' ' ' VAL . 85.4 t -153.64 143.64 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.0 tp -103.79 99.27 9.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.1 p -58.8 153.3 17.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.506 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.5 OUTLIER -75.38 -4.07 37.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 37.1 mt-30 -86.99 113.78 55.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.542 0.687 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 51' ' ' GLN . 53.1 Cg_endo -69.83 147.92 63.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.649 2.233 . . . . 0.0 112.294 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -50.91 -47.13 60.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.32 -52.8 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.062 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.411 ' HA3' ' HD2' ' A' ' 56' ' ' PRO . . . -177.41 -144.33 5.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.411 ' HD2' ' HA3' ' A' ' 55' ' ' GLY . 52.9 Cg_endo -69.83 91.58 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 142.92 -35.3 1.71 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.43 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.3 p -72.12 152.88 92.66 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.597 0.713 . . . . 0.0 110.856 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.469 ' HB2' ' CG ' ' A' ' 23' ' ' GLN . 53.4 Cg_endo -69.79 118.03 5.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.296 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.6 mt -38.6 151.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -75.84 146.07 40.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.533 HG21 ' HA ' ' A' ' 19' ' ' GLU . 49.3 t -110.8 143.08 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.185 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.3 m -118.76 113.58 21.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -99.31 108.97 21.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.0 mt -110.99 108.24 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -65.53 108.08 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.7 t -79.41 113.74 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.469 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 22.6 mtm -83.32 154.18 24.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.9 t -124.3 136.77 54.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -130.68 79.44 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.53 57.23 4.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.442 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.41 -41.02 3.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -76.18 157.08 33.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.841 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 22.2 m-85 -119.22 146.89 44.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -139.21 171.86 13.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 76' ' ' VAL . 26.8 m -134.23 96.53 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.469 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 40.46 26.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -140.57 172.48 23.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.491 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.8 mp -78.55 -27.87 45.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -56.06 164.65 1.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.7 p -143.97 164.97 29.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.54 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 86.7 m-85 -143.05 145.46 32.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -48.57 -48.39 38.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.563 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 5.2 m -166.46 -177.64 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.687 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.2 mm? -48.05 -33.77 8.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 68.8 m -64.89 -58.84 5.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -58.98 -42.9 91.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.4 tt -64.37 -62.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 85' ' ' LEU . 95.8 t -51.99 -60.71 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -44.39 -60.09 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -50.97 -24.0 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.559 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.9 m-85 -93.87 -26.24 16.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -65.68 -18.29 65.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 pttt -106.95 -39.08 5.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.3 p -83.16 -56.32 3.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.212 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.24 157.58 14.67 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.559 HG13 ' CD1' ' A' ' 92' ' ' PHE . 45.7 mt -116.82 135.88 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 111.13 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -108.88 149.38 29.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -107.63 148.77 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -48.38 -49.59 34.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t -52.56 -47.27 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.72 30.59 0.25 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.422 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -103.92 157.68 16.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 111.058 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -127.22 106.08 9.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.734 HG13 HG11 ' A' ' 47' ' ' VAL . 83.3 t -82.54 132.91 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.554 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.9 m-85 -119.77 135.91 54.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.653 HD23 ' CB ' ' A' ' 31' ' ' PHE . 2.3 mp -113.5 96.98 6.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.47 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 24.0 mtm180 -92.74 -45.21 8.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.4 pm0 -146.37 143.82 19.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.417 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.7 Cg_endo -69.71 -165.07 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.361 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.455 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 94.4 t80 -135.91 113.14 10.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.417 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.8 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.94 0.4 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.0 -176.34 4.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.584 HD11 ' HB ' ' A' ' 76' ' ' VAL . 76.8 mt -108.86 -175.11 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.404 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -116.36 26.69 9.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.36 . . . . 0.0 110.927 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -100.46 120.12 39.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -100.96 -45.05 5.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.48 -117.22 5.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.43 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -61.51 101.22 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.5 tpp -157.56 127.28 6.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.8 p -84.28 149.04 26.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.48 -60.12 3.85 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.34 -43.17 9.83 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.796 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.7 tp60 -58.02 -64.45 0.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.763 0.316 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -36.86 -52.73 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 12.4 mt-10 -48.49 -47.83 38.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.5 m -60.24 -59.69 5.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.1 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.796 HD12 ' O ' ' A' ' 17' ' ' GLN . 4.8 mp -50.4 -47.58 56.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.1 mt -61.61 -65.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -46.47 -54.05 9.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.33 -40.99 5.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.073 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -61.85 -38.14 87.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.53 17.37 66.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.526 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -100.47 122.02 51.17 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.716 0.77 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 142.06 47.26 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.748 2.299 . . . . 0.0 112.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.555 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 8.0 m95 68.75 34.54 3.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.6 m -97.01 97.52 9.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.652 ' CB ' HD23 ' A' ' 107' ' ' LEU . 33.3 p90 -87.83 167.35 13.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.552 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -168.82 132.91 1.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.404 HG21 ' CE3' ' A' ' 8' ' ' TRP . 50.5 t -92.81 150.82 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.7 ptt85 -167.73 128.89 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -43.72 154.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 6.1 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 36' ' ' SER . 6.9 t0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.811 0.339 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 5.3 m-85 -118.26 178.05 4.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.0 t -145.96 139.2 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 tp -116.17 110.12 18.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.8 m -99.86 141.39 32.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.592 HG11 HG13 ' A' ' 105' ' ' VAL . 96.9 t -142.38 148.05 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.1 tp -103.66 97.48 7.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.8 p -59.2 150.69 24.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.804 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 2.1 t70 -74.87 0.75 14.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -89.87 114.29 60.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.717 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.52 60.42 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.653 2.236 . . . . 0.0 112.369 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -50.82 -57.42 8.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -109.32 -61.2 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -163.83 -148.39 5.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.63 84.77 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.388 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.38 -28.84 0.87 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 p -75.11 155.23 86.4 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 60' ' ' LEU . 53.6 Cg_endo -69.79 115.73 4.23 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' PRO . 52.2 mt -36.24 147.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -72.97 151.49 41.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.4 t -115.24 134.46 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.48 HG21 HG21 ' A' ' 105' ' ' VAL . 57.8 m -106.88 106.76 17.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.41 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 82.2 m-70 -93.42 114.74 27.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 21.9 mt -125.73 131.73 71.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -79.01 141.59 37.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.9 t -113.34 108.64 26.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.438 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 41.1 mtm -75.27 160.76 29.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.1 t -128.51 122.75 31.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -108.33 92.2 3.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 50.95 62.12 5.59 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.21 -37.56 3.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -78.18 173.47 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.35 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.646 ' CE2' HD22 ' A' ' 85' ' ' LEU . 30.2 m-85 -134.26 150.91 51.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.057 0.456 . . . . 0.0 110.883 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.9 t -154.82 166.15 34.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 76' ' ' VAL . 16.6 m -129.92 87.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.438 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.09 -61.0 2.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.74 174.2 2.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.449 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 mp -84.76 -14.48 48.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.72 0.295 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -53.48 172.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.1 p -156.96 152.71 27.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.15 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 67.0 m-85 -130.72 154.99 47.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -55.78 -45.99 78.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.415 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 26.5 p -165.79 -175.91 3.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.679 ' O ' HG23 ' A' ' 89' ' ' VAL . 2.9 mm? -50.86 -33.71 25.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.5 m -65.58 -56.16 13.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.15 -39.36 92.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.498 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 7.9 tt -66.61 -59.0 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 85' ' ' LEU . 73.1 t -57.4 -57.97 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -44.65 -54.92 5.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -56.11 -24.03 37.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -93.73 -18.85 21.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -74.45 -15.56 60.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.427 ' HG3' HG23 ' A' ' 95' ' ' THR . 3.4 ptmt -106.71 -36.43 6.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.427 HG23 ' HG3' ' A' ' 94' ' ' LYS . 81.3 p -91.56 -64.75 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 118.93 157.68 10.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.419 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 41.0 mt -103.16 136.75 34.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.772 0.32 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 55.6 tt0 -108.35 117.32 33.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.682 ' OE1' HD12 ' B' ' 11' ' ' LEU . 5.3 mm-40 -87.27 154.23 20.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' SER . . . -56.42 -57.42 12.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' ALA . 3.7 m -35.45 -43.94 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.32 23.79 1.09 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -107.85 162.27 14.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 111.077 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.0 m-85 -128.8 107.25 9.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.592 HG13 HG11 ' A' ' 47' ' ' VAL . 55.4 t -79.18 140.25 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.555 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 18.2 m-85 -122.41 143.57 49.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.652 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -122.67 95.11 4.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.417 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 41.7 mtp180 -90.99 -40.41 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -150.68 143.25 16.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.71 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.464 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.3 Cg_endo -69.76 -165.22 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 0.0 112.281 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 86.6 t80 -130.87 115.4 16.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.968 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.464 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.4 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.431 ' CB ' ' OE2' ' A' ' 99' ' ' GLU . 1.9 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.932 0.396 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.1 172.12 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.682 HD12 ' OE1' ' A' ' 99' ' ' GLU . 8.6 mp -101.76 -172.82 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.43 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -107.37 28.71 7.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.754 0.311 . . . . 0.0 110.91 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -102.52 113.26 26.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -89.06 -56.4 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.89 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.14 -112.16 3.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -77.28 126.07 30.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.749 0.309 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.524 ' SD ' ' HB2' ' A' ' 18' ' ' ALA . 24.3 ttm -174.26 138.64 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.3 t -76.01 139.45 41.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.0 -58.06 4.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.541 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.24 -28.5 50.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.544 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.832 ' HG2' HD11 ' A' ' 21' ' ' LEU . 12.2 tt0 -61.83 -64.28 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.524 ' HB2' ' SD ' ' A' ' 13' ' ' MET . . . -35.97 -51.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.532 ' HA ' HG21 ' A' ' 62' ' ' VAL . 16.3 mt-10 -45.65 -48.66 14.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.6 m -61.11 -66.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.832 HD11 ' HG2' ' A' ' 17' ' ' GLN . 4.6 mp -41.9 -44.18 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.984 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.629 HD21 HD23 ' A' ' 32' ' ' LEU . 32.1 mt -67.25 -60.09 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.467 ' CG ' ' HB2' ' A' ' 59' ' ' PRO . 98.3 mt-30 -50.33 -59.05 4.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.53 -39.23 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -61.21 -43.98 98.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.85 6.42 72.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.451 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.89 120.4 69.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 0.0 110.771 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 143.78 51.52 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.475 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 9.2 m95 68.51 31.28 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.437 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 88.2 m -92.04 96.87 10.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.658 ' CB ' HD23 ' A' ' 107' ' ' LEU . 17.3 p90 -90.1 159.03 17.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.629 HD23 HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -161.95 128.46 3.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.43 HG21 ' CE3' ' A' ' 8' ' ' TRP . 5.3 t -89.68 145.94 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -162.6 120.94 2.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -46.57 153.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.797 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.756 0.313 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -134.93 -178.38 5.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.2 t -153.93 148.48 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.768 HD21 HD21 ' A' ' 107' ' ' LEU . 24.4 tp -127.77 99.74 5.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 m -90.19 133.72 34.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.632 HG22 ' CB ' ' A' ' 31' ' ' PHE . 98.4 t -134.77 142.28 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.4 tp -97.22 96.52 8.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.9 p -53.61 156.26 2.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.815 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.472 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 2.5 t70 -78.7 1.6 22.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -97.88 126.05 42.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.624 0.726 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 158.59 56.45 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.62 2.213 . . . . 0.0 112.358 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -61.53 -48.26 81.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.42 -51.65 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -171.39 -149.9 6.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 90.85 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.31 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.24 -29.94 1.62 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.8 p -78.38 152.95 79.03 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.676 0.751 . . . . 0.0 110.844 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.467 ' HB2' ' CG ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.81 120.43 7.21 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.292 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 59' ' ' PRO . 29.0 mt -35.48 147.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -71.38 148.49 46.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.532 HG21 ' HA ' ' A' ' 19' ' ' GLU . 45.2 t -112.43 135.97 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 98.7 m -112.64 116.04 29.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.111 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -101.21 105.19 16.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.781 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.491 HD13 HD13 ' A' ' 97' ' ' ILE . 23.5 mt -103.37 131.25 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -79.24 124.77 28.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.8 t -105.08 92.78 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.473 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 43.9 mtm -62.82 169.26 3.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.6 t -136.6 128.85 29.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -122.43 83.02 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.98 54.84 22.41 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.52 -28.86 7.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -75.4 175.67 8.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.727 ' CE2' HD22 ' A' ' 85' ' ' LEU . 41.2 m-85 -143.92 143.63 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.4 t -152.54 162.54 41.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.151 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 76' ' ' VAL . 33.7 m -127.59 86.51 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.026 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.473 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.84 -48.67 2.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.539 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.21 164.5 52.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.46 -25.06 57.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.403 ' C ' HG23 ' A' ' 81' ' ' THR . 8.3 mt-10 -46.18 170.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.403 HG23 ' C ' ' A' ' 80' ' ' GLU . 67.0 p -157.65 159.63 37.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.511 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 70.7 m-85 -137.57 143.81 41.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -46.44 -35.09 5.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.473 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 2.8 m -173.61 173.28 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.727 HD22 ' CE2' ' A' ' 74' ' ' TYR . 3.1 mm? -41.93 -62.88 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.1 m -40.8 -47.39 2.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -67.39 -39.62 85.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.511 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.3 tt -69.4 -65.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.498 HG11 ' CE2' ' A' ' 31' ' ' PHE . 56.5 t -45.88 -58.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -43.57 -61.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -52.36 -23.56 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.799 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -93.74 -18.42 22.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -71.89 -20.86 61.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.457 ' HG3' HG23 ' A' ' 95' ' ' THR . 9.5 pttp -106.27 -40.91 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.457 HG23 ' HG3' ' A' ' 94' ' ' LYS . 52.7 p -82.89 -47.56 11.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.87 165.32 35.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.962 ' CG2' HD11 ' B' ' 11' ' ' LEU . 14.1 mt -109.92 142.73 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.113 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.47 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 23.5 tt0 -116.62 90.61 3.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -55.91 156.89 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.843 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -56.17 -60.15 3.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' ALA . 2.1 m -36.25 -37.83 0.13 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 123.18 26.28 1.7 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -103.9 149.46 25.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 8.8 m-85 -115.14 104.92 12.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.505 ' CG1' HG11 ' A' ' 47' ' ' VAL . 73.1 t -83.14 132.01 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.475 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 20.0 m-85 -116.79 138.86 51.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.768 HD21 HD21 ' A' ' 45' ' ' LEU . 1.5 mp -115.24 96.77 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.971 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.447 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 11.4 mtm180 -91.62 -48.45 6.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -142.57 143.61 27.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.41 ' CB ' ' HB3' ' A' ' 8' ' ' TRP . 54.6 Cg_endo -69.69 -165.1 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.691 2.261 . . . . 0.0 112.403 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.437 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 77.5 t80 -140.56 120.12 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.96 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 54.2 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -178.26 1.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.962 HD11 ' CG2' ' A' ' 97' ' ' ILE . 3.7 mm? -103.67 -174.05 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.817 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.472 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -119.75 28.3 8.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 110.885 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -104.83 123.33 47.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -98.12 -69.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' MET . . . 117.97 -119.04 4.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -53.34 84.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.772 0.32 . . . . 0.0 110.833 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' GLY . 14.9 tpp -140.63 143.52 35.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 m -109.93 159.26 17.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.88 -74.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.61 -33.68 0.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.827 ' HG2' HD11 ' A' ' 21' ' ' LEU . 11.7 tt0 -66.61 -65.31 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.339 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -35.07 -49.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -54.45 -48.69 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' GLN . 81.5 m -56.92 -52.7 64.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.827 HD11 ' HG2' ' A' ' 17' ' ' GLN . 5.0 mp -56.55 -58.89 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.524 ' O ' HD22 ' A' ' 48' ' ' LEU . 48.8 mt -54.23 -61.55 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -48.92 -51.61 29.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.15 -37.86 55.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -57.99 -42.9 86.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.7 6.82 67.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.545 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -95.51 120.49 63.56 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.687 0.756 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 142.4 47.95 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.473 ' CD1' ' HD2' ' A' ' 108' ' ' ARG . 7.6 m95 71.35 32.02 2.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.1 m -92.99 101.0 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.717 ' CB ' HD23 ' A' ' 107' ' ' LEU . 22.9 p90 -95.07 160.57 14.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.9 pp -167.1 142.58 4.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.472 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 36.8 t -96.34 135.88 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.0 ptt85 -144.42 111.46 5.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -47.7 122.1 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.802 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.863 0.364 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.438 ' CE1' ' CZ ' ' A' ' 74' ' ' TYR . 5.8 m-85 -130.07 -178.05 4.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.3 t -148.26 149.16 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 tp -127.07 116.87 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 m -106.63 148.19 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.631 HG11 HG13 ' A' ' 105' ' ' VAL . 98.9 t -148.46 134.6 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.524 HD22 ' O ' ' A' ' 22' ' ' LEU . 20.4 tp -89.97 97.29 11.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.1 p -59.34 157.81 10.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -80.74 0.96 32.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 37.6 mt-30 -90.38 111.48 47.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.711 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 51' ' ' GLN . 53.2 Cg_endo -69.85 151.19 68.47 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.73 2.287 . . . . 0.0 112.261 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -62.51 -56.24 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -134.65 90.55 2.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.36 -165.71 2.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.428 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 133.64 26.0 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.621 2.214 . . . . 0.0 112.343 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.21 -43.77 1.62 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 p -64.78 153.34 88.21 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.607 0.718 . . . . 0.0 110.832 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 120.85 7.57 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.9 mt -41.61 148.16 0.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -70.26 150.28 46.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.1 t -115.56 126.58 73.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.096 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.427 HG21 HG21 ' A' ' 105' ' ' VAL . 96.6 m -100.83 106.46 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -95.54 113.39 25.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.5 mt -118.68 125.03 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.155 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -73.56 133.02 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.3 t -101.57 101.02 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.472 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 28.6 mtm -65.43 161.42 19.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 40.3 t -129.34 120.93 26.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -119.13 102.45 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.11 56.66 13.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.77 -34.42 2.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -76.21 166.48 23.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.486 ' CD2' HD22 ' A' ' 85' ' ' LEU . 24.9 m-85 -126.09 150.59 48.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.955 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.3 t -156.86 163.84 38.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.186 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 76' ' ' VAL . 16.3 m -126.87 87.23 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.071 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.472 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 74.92 -58.68 2.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.05 167.89 11.0 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.0 mt -77.3 -23.48 51.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.721 0.296 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -46.5 170.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 79.3 p -155.21 157.4 37.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.49 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 60.1 m-85 -135.81 155.67 49.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.53 -46.49 77.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.8 p -169.22 178.22 4.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 89' ' ' VAL . 3.5 mm? -44.46 -27.96 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.402 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 54.3 m -71.62 -49.97 35.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -69.47 -38.42 77.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.49 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.3 tt -68.62 -61.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 85' ' ' LEU . 99.5 t -53.23 -58.19 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 86' ' ' THR . 49.7 mm-40 -44.24 -57.73 3.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -55.88 -21.91 22.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.475 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.2 m-85 -93.81 -15.96 24.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.504 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 37.7 mtmt -75.75 -16.16 60.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.8 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.476 ' HG3' HG23 ' A' ' 95' ' ' THR . 7.0 pttp -106.26 -37.02 6.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.476 HG23 ' HG3' ' A' ' 94' ' ' LYS . 72.7 p -90.0 -68.08 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 113.76 150.16 10.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.475 HG13 ' CD1' ' A' ' 92' ' ' PHE . 24.9 mt -94.9 140.86 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.076 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.5 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 31.2 tt0 -109.04 117.81 35.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.509 ' OE2' HG23 ' A' ' 105' ' ' VAL . 2.3 mp0 -85.92 142.67 28.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' SER . . . -38.82 -62.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' ALA . 91.9 p -35.77 -37.68 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.89 21.17 2.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.41 156.99 16.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 111.051 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.4 m-85 -126.34 106.93 9.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.631 HG13 HG11 ' A' ' 47' ' ' VAL . 75.5 t -76.77 134.54 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.141 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.447 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 22.4 m-85 -118.49 133.86 55.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.717 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.8 mp -112.93 94.12 4.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.834 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.473 ' HD2' ' CD1' ' A' ' 29' ' ' TRP . 12.9 mtp-105 -91.23 -46.91 7.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.7 pm0 -140.44 141.53 26.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.512 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.0 Cg_endo -69.83 -163.77 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.309 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.538 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 89.7 t80 -135.5 112.76 10.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.512 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 6.8 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.15 178.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.496 HD21 ' HB ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -107.63 -174.89 2.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.954 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.567 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -120.3 25.78 9.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.968 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -97.28 116.28 29.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -114.1 74.09 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.39 166.41 34.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 62.56 33.2 16.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.7 0.286 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.507 ' CE ' HD22 ' A' ' 21' ' ' LEU . 37.4 ttm -118.56 155.77 30.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.461 ' N ' ' HG2' ' A' ' 13' ' ' MET . 58.8 m -108.79 158.73 17.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.72 -70.38 0.93 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.21 -24.99 1.69 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.846 ' HG3' HD11 ' A' ' 21' ' ' LEU . 20.4 tp60 -68.39 -62.55 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 110.942 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -36.53 -46.63 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.491 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 25.9 mt-10 -50.31 -46.96 55.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 63.1 m -63.05 -60.95 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.223 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.846 HD11 ' HG3' ' A' ' 17' ' ' GLN . 4.5 mp -48.86 -45.37 40.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.573 ' HG ' HD23 ' A' ' 32' ' ' LEU . 19.7 mt -66.01 -61.8 1.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.446 ' CG ' ' HB2' ' A' ' 59' ' ' PRO . 75.3 mt-30 -48.51 -57.96 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.0 -41.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.06 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -60.49 -41.77 94.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.11 8.97 66.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -91.08 120.29 68.62 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.707 0.765 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 142.02 46.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.5 m95 70.97 30.6 2.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.435 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 94.6 m -93.55 100.89 13.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.821 ' CB ' HD23 ' A' ' 107' ' ' LEU . 25.5 p90 -93.01 157.14 16.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.607 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -161.06 135.32 7.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.567 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 42.7 t -93.0 150.35 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' NH2' HG11 ' A' ' 44' ' ' VAL . 50.2 ptt85 -162.31 142.69 10.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -58.98 161.27 5.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.537 ' HB3' HG23 ' A' ' 44' ' ' VAL . 8.3 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.525 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 53.8 m-20 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.782 0.325 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.525 ' CD1' ' C ' ' A' ' 42' ' ' ASP . 1.3 m-85 -139.45 172.73 12.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 36' ' ' SER . 75.8 t -138.95 147.72 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.7 tp -122.12 121.55 37.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.0 m -112.45 146.0 39.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.669 HG11 ' CG1' ' A' ' 105' ' ' VAL . 87.2 t -148.97 133.88 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.434 ' CD1' HG22 ' A' ' 62' ' ' VAL . 17.9 tp -90.07 97.39 11.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.8 p -60.32 155.83 17.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 4.3 t70 -76.62 1.13 17.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -89.28 116.06 65.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.585 0.707 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 142.89 49.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.254 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -49.54 -50.23 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.85 -50.88 2.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.57 -146.97 6.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 91.4 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.689 2.259 . . . . 0.0 112.393 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 144.58 -32.25 1.74 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.535 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 p -77.03 153.18 82.64 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.653 0.739 . . . . 0.0 110.913 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.446 ' HB2' ' CG ' ' A' ' 23' ' ' GLN . 54.4 Cg_endo -69.7 118.55 5.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 59' ' ' PRO . 24.7 mt -34.67 151.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.83 145.52 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.434 HG22 ' CD1' ' A' ' 48' ' ' LEU . 34.7 t -111.32 125.4 68.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.012 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.441 HG23 ' HB2' ' B' ' 9' ' ' SER . 71.3 m -103.7 119.01 38.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.491 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 40.8 m-70 -105.62 114.61 28.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.503 HD13 HD13 ' A' ' 97' ' ' ILE . 14.5 mt -115.85 118.7 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -63.64 144.21 57.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.2 t -116.58 107.62 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.049 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.461 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 36.2 mtm -74.98 153.54 38.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 27.3 t -137.87 122.34 18.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.475 ' HG3' ' CG ' ' A' ' 73' ' ' ARG . 2.4 pt-20 -115.65 99.75 7.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.45 -50.53 2.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -168.92 -29.68 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.445 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.475 ' CG ' ' HG3' ' A' ' 70' ' ' GLU . 14.1 ptt180 -81.79 149.59 28.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.665 ' CE2' HD22 ' A' ' 85' ' ' LEU . 29.4 m-85 -106.8 151.26 25.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.1 t -159.91 153.0 21.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 76' ' ' VAL . 17.6 m -118.06 85.97 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.461 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.89 -63.66 2.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.15 149.25 27.17 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.428 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.8 mt -62.78 -14.41 44.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 81' ' ' THR . 7.9 mt-10 -52.46 -175.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 80' ' ' GLU . 47.1 p -162.33 174.01 13.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.226 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.553 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 59.3 m-85 -157.54 134.19 9.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 82' ' ' PHE . 6.2 m-20 -36.21 -52.19 0.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.433 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 1.9 m -164.01 -176.22 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.665 HD22 ' CE2' ' A' ' 74' ' ' TYR . 3.3 mm? -47.86 -34.79 9.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.2 m -63.44 -58.25 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.84 -38.6 86.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.553 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -66.36 -61.64 1.9 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 85' ' ' LEU . 78.5 t -54.86 -55.95 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -45.24 -54.85 6.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.43 ' HA ' ' HZ2' ' A' ' 94' ' ' LYS . 13.2 t60 -59.23 -22.32 60.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.46 ' CD1' HG13 ' A' ' 97' ' ' ILE . 2.3 m-85 -93.75 -11.17 32.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -80.33 -16.46 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.524 ' HG3' HG23 ' A' ' 95' ' ' THR . 10.7 pttm -106.63 -38.67 6.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.524 HG23 ' HG3' ' A' ' 94' ' ' LYS . 72.8 p -88.76 -67.05 0.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.43 154.23 12.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.503 HD13 HD13 ' A' ' 65' ' ' ILE . 35.0 mt -98.7 132.98 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 111.093 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 38.9 tt0 -103.98 110.16 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -77.98 142.05 38.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -41.37 -58.61 1.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.072 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 m -38.77 -42.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 127.43 28.24 0.92 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -104.68 152.28 22.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.756 0.312 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.9 m-85 -125.71 104.49 8.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.669 ' CG1' HG11 ' A' ' 47' ' ' VAL . 92.4 t -75.76 133.87 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.569 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 19.7 m-85 -120.22 133.84 55.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.821 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.7 mp -112.46 96.41 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.436 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 30.9 mtp85 -90.55 -42.94 10.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 -146.98 142.42 17.03 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.578 0.704 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -164.14 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.639 2.226 . . . . 0.0 112.312 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.435 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 87.9 t80 -140.06 139.83 35.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.991 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 -179.901 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.441 ' HB2' HG23 ' A' ' 63' ' ' THR . 1.9 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.907 0.384 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.22 170.27 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.658 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 1.8 mp -96.6 179.89 4.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.551 -0.22 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.44 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -111.14 21.69 16.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.801 0.334 . . . . 0.0 110.949 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.408 ' OH ' ' CG ' ' A' ' 35' ' ' GLU . 6.1 t80 -99.31 113.87 26.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -94.43 -59.18 2.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.827 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.08 -100.98 1.13 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.428 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -69.3 101.13 1.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.757 0.313 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 39.0 ttm -165.92 158.37 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.0 p -125.72 179.77 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.38 -60.56 6.94 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.6 -42.39 27.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.752 ' HG3' HD11 ' A' ' 21' ' ' LEU . 4.8 tp60 -60.64 -62.42 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.712 0.291 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -38.3 -43.99 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.485 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 13.1 mt-10 -57.22 -45.89 83.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.4 m -63.7 -46.52 85.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.752 HD11 ' HG3' ' A' ' 17' ' ' GLN . 5.3 mp -63.18 -42.67 99.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.536 HD21 HD23 ' A' ' 32' ' ' LEU . 68.3 mt -71.64 -62.72 1.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.44 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 90.1 mt-30 -47.65 -45.34 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.991 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.3 90.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -54.33 -44.33 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.74 24.47 76.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.88 121.1 42.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 110.929 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 142.0 47.17 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.6 m95 68.54 33.29 4.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -95.31 99.73 11.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.473 ' CB ' HG22 ' A' ' 47' ' ' VAL . 20.5 p90 -93.48 160.8 14.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.813 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.568 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -164.92 135.58 3.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 t -104.55 151.7 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.554 HH22 ' N ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -152.74 -177.63 6.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' CG ' ' OH ' ' A' ' 9' ' ' TYR . 35.3 mt-10 -107.81 131.28 54.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.843 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.965 0.412 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 2.2 m-85 -108.42 178.58 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.5 t -146.28 148.79 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.432 HD21 HD21 ' A' ' 107' ' ' LEU . 47.4 tp -125.16 139.81 53.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.554 ' N ' HH22 ' A' ' 34' ' ' ARG . 68.3 m -126.32 149.23 49.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.615 HG11 ' CG1' ' A' ' 105' ' ' VAL . 66.1 t -150.37 140.4 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 60' ' ' LEU . 17.5 tp -99.63 98.06 8.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.6 p -59.71 159.03 9.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.454 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 3.7 t70 -81.39 2.41 28.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.409 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 35.1 mt-30 -92.57 108.87 34.71 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 51' ' ' GLN . 53.8 Cg_endo -69.67 148.51 65.8 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.402 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -52.88 -57.91 8.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.7 -74.87 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -143.39 -154.39 6.12 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 83.44 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.6 2.2 . . . . 0.0 112.351 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.36 -32.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.4 p -71.33 154.4 93.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.683 0.754 . . . . 0.0 110.877 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.44 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 54.1 Cg_endo -69.73 114.54 3.73 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.465 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 62.6 mt -36.71 149.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -70.38 145.81 50.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.472 HG11 ' CE1' ' A' ' 64' ' ' HIS . 65.4 t -114.48 132.33 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.599 HG23 ' HB2' ' B' ' 9' ' ' SER . 16.7 m -108.42 107.28 17.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.485 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 73.1 m-70 -93.42 114.91 27.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.3 mt -114.7 116.24 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -71.62 110.42 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.0 t -80.82 121.23 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.459 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 42.1 mtm -89.1 165.8 14.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.6 t -127.97 128.24 44.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.804 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -119.25 80.43 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.33 53.1 48.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 99.72 -50.09 1.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -68.41 177.29 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.886 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.614 ' CE2' HD22 ' A' ' 85' ' ' LEU . 28.6 m-85 -136.57 146.08 45.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 t -146.17 153.89 41.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.161 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 76' ' ' VAL . 33.2 m -121.63 86.15 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.459 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.39 -49.67 2.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.551 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.06 163.66 50.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.2 mt -76.68 -19.81 57.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.433 ' O ' ' CG2' ' A' ' 81' ' ' THR . 5.9 mm-40 -53.2 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.433 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 34.2 p -158.51 165.26 34.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.552 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 63.9 m-85 -144.17 137.5 27.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 82' ' ' PHE . 11.2 m-20 -37.91 -53.49 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.556 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 2.3 m -161.11 -176.33 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.614 HD22 ' CE2' ' A' ' 74' ' ' TYR . 4.3 mm? -47.99 -36.68 13.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.9 m -61.6 -61.64 2.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -55.84 -40.14 72.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.552 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -65.77 -65.41 0.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 85' ' ' LEU . 72.3 t -51.31 -59.57 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -44.09 -59.29 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -53.28 -21.88 6.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -93.73 -26.31 17.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.425 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 30.5 mtmt -67.24 -15.51 63.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.92 -45.86 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.2 p -77.66 -54.49 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.88 156.19 19.16 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.505 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.515 ' CG2' HD21 ' B' ' 11' ' ' LEU . 61.3 mt -108.32 133.76 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 111.09 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 33.9 tt0 -105.76 138.25 42.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -92.25 145.82 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -40.08 -58.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.059 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 m -54.07 -66.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 178.99 -35.9 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.62 151.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.348 . . . . 0.0 111.086 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 9.7 m-85 -127.64 124.57 38.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.615 ' CG1' HG11 ' A' ' 47' ' ' VAL . 94.9 t -92.6 134.19 31.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.567 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 23.6 m-85 -120.51 126.13 49.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.432 HD21 HD21 ' A' ' 45' ' ' LEU . 1.3 mp -102.62 78.12 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.488 ' HG3' ' CD1' ' A' ' 29' ' ' TRP . 1.8 mmp_? -75.24 -57.21 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -134.01 141.67 40.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.56 0.695 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.453 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.83 -164.61 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.392 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -138.34 110.69 7.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.453 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.9 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.599 ' HB2' HG23 ' A' ' 63' ' ' THR . 53.7 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.91 -175.06 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.515 HD21 ' CG2' ' A' ' 97' ' ' ILE . 87.8 mt -115.43 -179.06 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.416 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -106.82 21.41 17.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.835 0.35 . . . . 0.0 110.92 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -98.14 110.83 23.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -86.46 -62.35 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.68 -128.07 7.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 6.0 p80 -54.49 107.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.686 0.279 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.9 ttp -168.55 134.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 m -89.28 175.64 7.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 17' ' ' GLN . . . -65.94 -67.9 1.85 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.4 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.95 -28.11 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.688 ' HG3' HD11 ' A' ' 21' ' ' LEU . 6.2 tp60 -72.17 -63.88 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' HB2' ' HE ' ' A' ' 34' ' ' ARG . . . -36.16 -46.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 23.7 mt-10 -52.58 -47.26 66.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 65.7 m -63.09 -58.59 6.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.738 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.1 mp -50.3 -40.94 49.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.5 mt -74.52 -68.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -41.85 -42.94 2.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.45 -44.13 76.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -55.24 -45.04 76.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.23 13.72 82.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.0 122.05 53.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.662 0.744 . . . . 0.0 110.837 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 54.0 Cg_endo -69.79 141.63 45.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.378 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.583 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 7.9 m95 69.24 36.87 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 81.7 m -97.13 103.16 15.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.702 ' CB ' HD23 ' A' ' 107' ' ' LEU . 23.7 p90 -94.27 156.83 16.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.649 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.1 pp -160.1 139.85 11.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.416 HG21 ' CE3' ' A' ' 8' ' ' TRP . 24.9 t -101.2 143.28 14.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.105 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.472 ' HE ' ' HB2' ' A' ' 18' ' ' ALA . 25.2 ptt85 -157.74 146.19 19.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.798 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -61.51 172.82 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 -179.754 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 5.5 m-85 -107.7 171.94 7.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.4 t -133.86 135.21 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.4 tp -115.38 108.85 17.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -103.61 139.22 39.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.576 HG11 HG13 ' A' ' 105' ' ' VAL . 96.0 t -141.19 144.11 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.446 ' CD1' HG22 ' A' ' 62' ' ' VAL . 17.9 tp -99.1 97.63 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.2 p -61.8 150.82 35.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.765 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.583 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 4.6 t70 -72.64 1.0 9.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.762 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -90.46 113.25 56.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.521 0.677 . . . . 0.0 110.974 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 149.92 67.27 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -52.98 -51.32 61.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.86 -69.71 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.22 -152.54 5.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 79.85 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.634 2.223 . . . . 0.0 112.345 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.74 -28.15 0.28 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.441 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 p -78.18 153.4 79.64 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.743 0.782 . . . . 0.0 110.818 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.3 Cg_endo -69.75 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.262 . . . . 0.0 112.37 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' PRO . 26.1 mt -37.05 149.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -72.03 144.66 48.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.446 HG22 ' CD1' ' A' ' 48' ' ' LEU . 5.7 t -114.98 124.45 71.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.2 m -96.59 117.43 30.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.445 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 91.6 m-70 -99.38 105.16 17.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.8 mt -107.16 139.52 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -98.33 104.48 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.803 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.5 t -77.76 124.68 36.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.468 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 50.6 mtm -86.0 169.44 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.0 t -139.66 124.88 18.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -122.27 92.99 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.72 52.58 41.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.31 -41.45 2.58 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -70.44 159.98 33.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.706 ' CE2' HD22 ' A' ' 85' ' ' LEU . 25.5 m-85 -128.15 144.46 51.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.991 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 t -150.94 154.35 36.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.56 ' O ' HD12 ' B' ' 11' ' ' LEU . 15.7 m -118.72 85.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.468 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 79.01 -65.92 3.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.02 174.12 1.8 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.45 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 80' ' ' GLU . 32.1 mt -81.77 -19.82 40.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.688 0.28 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.4 ' C ' HG23 ' A' ' 81' ' ' THR . 11.8 mt-10 -45.66 172.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.4 HG23 ' C ' ' A' ' 80' ' ' GLU . 56.9 p -157.02 160.9 39.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 25.5 m-85 -144.22 147.27 33.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.3 -50.96 11.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -163.76 -178.68 5.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.706 HD22 ' CE2' ' A' ' 74' ' ' TYR . 2.1 mm? -47.82 -36.06 11.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.3 m -63.13 -53.61 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.85 -38.33 90.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -68.18 -63.11 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 85' ' ' LEU . 62.3 t -50.46 -56.71 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.156 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -44.19 -60.47 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -54.07 -20.85 7.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -93.4 -20.11 20.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.46 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 32.0 mtmt -74.08 -15.24 61.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.444 ' HG3' HG23 ' A' ' 95' ' ' THR . 5.7 ptmt -106.59 -37.01 6.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.444 HG23 ' HG3' ' A' ' 94' ' ' LYS . 59.8 p -91.78 -61.4 1.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 113.82 172.0 17.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.411 ' CG2' HD21 ' B' ' 11' ' ' LEU . 56.8 mt -121.05 136.08 59.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.743 0.306 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.508 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 8.3 tt0 -105.41 140.73 38.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -106.66 151.46 25.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.93 -58.99 4.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -42.26 -49.21 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.76 30.61 0.25 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.98 152.81 23.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.836 0.35 . . . . 0.0 111.037 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.508 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.8 m-85 -124.99 108.85 12.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.576 HG13 HG11 ' A' ' 47' ' ' VAL . 95.5 t -81.58 133.06 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.557 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.1 m-85 -119.11 129.49 55.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.702 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.2 mp -108.36 80.16 1.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -82.88 -48.46 10.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 8.1 pm0 -132.19 139.54 35.24 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -163.88 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.464 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 81.1 t80 -140.59 109.2 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.959 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.927 0.394 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.98 -175.12 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' 76' ' ' VAL . 80.9 mt -114.26 170.86 7.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.555 ' C ' ' ND2' ' B' ' 12' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.454 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -117.73 21.27 13.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.75 0.309 . . . . 0.0 110.9 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -95.41 107.06 19.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.495 ' CD2' HD13 ' A' ' 32' ' ' LEU . 58.7 m-70 -80.99 -62.22 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.832 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.01 -80.94 0.28 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.552 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -88.04 96.11 10.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.747 0.308 . . . . 0.0 110.808 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.468 ' HE2' HD22 ' A' ' 21' ' ' LEU . 41.2 ttm -155.7 127.44 7.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 t -97.91 157.4 16.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -41.4 -63.92 1.48 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.54 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.3 -33.08 52.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.78 ' O ' HD12 ' A' ' 21' ' ' LEU . 14.7 tt0 -65.74 -65.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.934 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.405 ' HA ' HD13 ' A' ' 21' ' ' LEU . . . -37.5 -52.32 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -47.0 -49.58 20.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.9 m -58.31 -63.32 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 17' ' ' GLN . 4.6 mp -46.26 -51.4 14.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.595 HD21 HD23 ' A' ' 32' ' ' LEU . 22.6 mt -60.21 -68.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.426 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 94.1 mt-30 -41.72 -44.28 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.41 -40.6 68.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' CG ' ' HB2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -57.64 -45.35 85.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.74 3.98 74.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.432 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' HB2' ' CG ' ' A' ' 25' ' ' LYS . 2.9 mm-40 -92.72 122.46 64.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.665 0.745 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 141.98 46.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.648 2.232 . . . . 0.0 112.297 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.492 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 8.3 m95 72.61 26.49 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.43 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 68.3 m -87.18 98.43 11.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.917 ' CB ' HD23 ' A' ' 107' ' ' LEU . 27.7 p90 -88.1 168.92 12.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.595 HD23 HD21 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -173.73 138.35 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.454 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 16.0 t -95.91 151.57 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -167.21 113.41 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -59.65 139.18 57.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.798 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.845 0.355 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -126.49 174.28 8.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.5 t -143.16 126.74 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.6 tp -104.6 104.6 14.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 m -91.88 140.97 29.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.67 HG11 ' CG1' ' A' ' 105' ' ' VAL . 78.4 t -145.53 132.03 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.101 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.0 tp -89.99 96.49 10.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.0 p -60.73 152.3 27.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.457 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -71.97 -1.37 14.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -85.68 117.14 68.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.517 0.675 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.28 66.4 Favored 'Trans proline' 0 C--O 1.23 0.125 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 1.8 mtpm? -70.5 -44.17 68.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.473 ' H ' ' CB ' ' A' ' 58' ' ' SER . . . -125.89 -45.39 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.515 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . 135.32 -57.96 0.68 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 53.5 Cg_endo -69.76 82.17 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.354 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 58.84 32.24 69.74 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.473 ' CB ' ' H ' ' A' ' 54' ' ' ALA . 78.4 p -81.4 148.95 64.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.702 0.763 . . . . 0.0 110.856 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.9 Cg_endo -69.78 113.31 3.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.78 2.32 . . . . 0.0 112.309 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.439 HD22 ' C ' ' A' ' 50' ' ' ASP . 25.6 mt -36.77 144.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.69 147.02 53.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.458 HG13 HD13 ' A' ' 22' ' ' LEU . 5.7 t -114.72 125.2 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 98.8 m -99.37 128.17 45.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -113.12 111.1 21.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.9 mt -114.5 131.93 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -82.08 109.16 16.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.8 t -86.09 109.27 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 75' ' ' THR . 35.3 mtm -62.78 146.57 52.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.1 t -121.72 100.99 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 71' ' ' GLY . 11.4 mt-10 -80.15 -174.45 4.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLU . . . -32.76 -60.3 0.41 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -140.07 0.76 2.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.41 ' CB ' ' HB ' ' A' ' 81' ' ' THR . 0.8 OUTLIER -114.85 175.27 5.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.828 0.346 . . . . 0.0 110.916 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.705 ' CE2' HD22 ' A' ' 85' ' ' LEU . 67.1 m-85 -126.22 157.3 38.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.032 0.444 . . . . 0.0 110.869 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 68' ' ' MET . 4.5 t -159.24 162.61 36.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 76' ' ' VAL . 31.1 m -129.17 102.86 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 45.28 25.6 1.23 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -134.95 168.9 23.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.3 mt -84.09 -23.76 30.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -62.38 171.45 1.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.41 ' HB ' ' CB ' ' A' ' 73' ' ' ARG . 71.1 p -149.84 167.97 25.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.543 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 35.0 m-85 -143.24 144.63 32.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -41.65 -53.17 3.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.4 m -159.36 178.52 9.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.705 HD22 ' CE2' ' A' ' 74' ' ' TYR . 3.7 mm? -47.06 -34.24 5.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.7 m -64.6 -56.04 16.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -59.75 -37.49 79.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.543 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.8 tt -69.28 -64.68 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 85' ' ' LEU . 96.2 t -50.65 -55.74 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -45.51 -56.21 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -57.52 -20.35 30.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.426 ' CD1' HG13 ' A' ' 97' ' ' ILE . 2.3 m-85 -93.84 -22.23 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -69.15 -17.27 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.001 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.55 ' HG3' HG23 ' A' ' 95' ' ' THR . 13.0 ptpt -105.86 -38.55 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.55 HG23 ' HG3' ' A' ' 94' ' ' LYS . 45.3 p -92.63 -58.48 2.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.83 165.6 25.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.557 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.426 HG13 ' CD1' ' A' ' 92' ' ' PHE . 21.4 mt -105.93 131.31 55.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.79 0.328 . . . . 0.0 111.159 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.623 ' CD ' ' CE2' ' A' ' 104' ' ' PHE . 5.5 tp10 -99.11 129.29 45.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 100' ' ' ALA . 40.3 mt-10 -94.13 128.96 40.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.85 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -34.4 -50.31 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.3 m -45.59 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.96 31.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.411 ' HB3' ' OE1' ' A' ' 99' ' ' GLU . . . -115.99 151.0 36.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.623 ' CE2' ' CD ' ' A' ' 98' ' ' GLU . 9.3 m-85 -122.87 111.57 16.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.67 ' CG1' HG11 ' A' ' 47' ' ' VAL . 97.3 t -84.53 133.94 28.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.085 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.492 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 23.1 m-85 -118.53 146.42 44.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.917 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.3 mp -125.2 95.17 4.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.456 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 28.1 mtm180 -88.51 -45.81 9.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -144.86 142.12 18.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.575 0.702 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 53.8 Cg_endo -69.66 -166.14 0.17 Allowed 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.724 2.282 . . . . 0.0 112.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.43 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 92.4 t80 -135.73 107.18 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.905 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.881 0.372 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . 0.462 ' O ' HD12 ' B' ' 11' ' ' LEU . 6.0 m-20 -53.56 -178.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.834 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.85 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 0.7 OUTLIER -116.55 -173.78 2.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.983 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.445 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -114.2 28.93 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -102.47 132.14 48.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -112.43 -58.32 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.29 -125.15 7.02 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -57.47 104.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.8 ttm -152.58 114.32 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.5 t -72.32 148.57 45.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.07 -58.67 5.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.15 -33.23 44.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.454 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.78 ' HG2' HD11 ' A' ' 21' ' ' LEU . 7.5 tt0 -64.82 -65.38 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.792 0.33 . . . . 0.0 110.996 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HA ' HD13 ' A' ' 21' ' ' LEU . . . -35.09 -48.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.413 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 15.5 mt-10 -51.89 -48.56 64.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' GLN . 71.6 m -59.05 -54.01 51.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.202 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.78 HD11 ' HG2' ' A' ' 17' ' ' GLN . 4.9 mp -55.86 -47.34 77.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.475 HD21 HD23 ' A' ' 32' ' ' LEU . 37.1 mt -67.05 -67.03 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -42.74 -42.55 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.46 79.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -61.67 -34.9 76.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.42 35.63 91.31 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -121.4 121.58 28.43 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.586 0.708 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.66 48.65 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.471 ' CB ' ' HG3' ' A' ' 108' ' ' ARG . 6.6 m95 67.91 31.81 5.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 87.5 m -94.92 98.9 11.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.759 ' CB ' HD23 ' A' ' 107' ' ' LEU . 25.2 p90 -90.95 166.26 13.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.588 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.1 pp -167.65 132.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.445 HG21 ' CE3' ' A' ' 8' ' ' TRP . 43.5 t -93.08 130.86 41.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.532 ' HD3' HD11 ' A' ' 32' ' ' LEU . 35.8 ptt85 -143.3 147.63 35.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -71.02 153.76 42.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.55 ' OG ' HG23 ' A' ' 44' ' ' VAL . 67.8 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.894 0.378 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.569 ' CE1' ' CZ ' ' A' ' 74' ' ' TYR . 16.4 m-85 -106.25 171.55 7.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.55 HG23 ' OG ' ' A' ' 36' ' ' SER . 90.7 t -137.89 142.87 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.6 tp -119.75 116.09 25.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.3 m -112.16 139.8 47.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.649 HG11 HG13 ' A' ' 105' ' ' VAL . 73.3 t -140.89 149.03 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.6 tp -104.15 96.68 6.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.6 p -55.31 159.25 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -84.33 2.4 40.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -92.47 110.36 44.38 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.651 0.738 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 148.32 64.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -53.26 -47.63 68.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.8 -46.81 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.047 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.34 -143.88 7.19 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 88.27 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.19 -29.71 1.64 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.486 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.4 p -76.51 154.33 83.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 110.909 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 116.28 4.49 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.329 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.1 mt -41.74 144.48 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -71.34 144.45 49.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 63' ' ' THR . 46.5 t -108.12 153.7 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.418 ' N ' HG12 ' A' ' 62' ' ' VAL . 98.2 m -126.64 104.13 7.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.413 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 60.1 m-70 -90.71 112.39 24.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.402 ' O ' HG13 ' A' ' 44' ' ' VAL . 18.9 mt -113.0 135.78 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -88.32 113.27 23.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.0 t -87.24 104.91 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.478 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 23.0 mtm -73.32 151.5 41.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -105.28 131.54 52.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -115.85 77.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 48.87 53.93 16.12 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.436 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.47 -41.8 2.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -82.93 -179.48 7.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.598 ' CD2' HD22 ' A' ' 85' ' ' LEU . 27.0 m-85 -139.23 136.78 35.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.3 t -133.03 166.94 21.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.199 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 76' ' ' VAL . 23.7 m -129.02 86.46 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.478 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.19 -54.6 2.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.17 179.41 14.56 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.2 mt -85.81 -26.93 25.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -46.36 172.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.4 p -150.67 165.96 31.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 52.5 m-85 -143.4 136.52 27.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -36.41 -52.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -163.88 -179.83 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.598 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.5 mm? -47.66 -29.85 3.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.1 m -66.02 -57.79 6.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.171 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.77 -38.22 87.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.548 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -67.37 -63.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 85' ' ' LEU . 91.4 t -52.27 -58.14 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -46.68 -53.66 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -56.67 -21.5 28.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.403 ' CZ ' HG21 ' A' ' 76' ' ' VAL . 3.6 m-85 -93.77 -30.61 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -63.59 -17.0 62.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.959 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -106.68 -41.08 5.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 73.2 p -84.09 -56.25 3.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.55 160.53 17.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.417 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 65.5 mt -113.23 148.44 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 111.083 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -125.11 130.4 52.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -89.21 146.04 25.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.748 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -48.76 -45.52 39.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.9 m -52.78 -46.86 67.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.65 30.68 0.25 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.33 161.13 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.721 0.296 . . . . 0.0 111.177 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -128.66 105.61 8.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.649 HG13 HG11 ' A' ' 47' ' ' VAL . 70.3 t -83.96 134.04 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.465 ' HB2' ' CD2' ' A' ' 29' ' ' TRP . 18.9 m-85 -120.11 143.31 48.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.759 HD23 ' CB ' ' A' ' 31' ' ' PHE . 2.6 mp -119.05 94.28 4.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.471 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 25.2 mtm180 -89.36 -44.85 9.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -145.06 143.46 20.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.615 0.722 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.436 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.9 Cg_endo -69.71 -166.49 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.749 2.299 . . . . 0.0 112.313 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.461 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 69.9 t80 -142.46 115.96 9.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.436 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.4 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.873 0.368 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -131.8 -174.68 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.748 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 83.8 mt -114.16 -176.13 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.844 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.532 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -119.25 27.23 8.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.78 0.324 . . . . 0.0 110.908 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -103.58 126.32 50.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -109.73 -52.87 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.19 -99.68 2.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 32.5 p-80 -69.25 110.81 4.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.638 ' CE ' HD22 ' A' ' 21' ' ' LEU . 4.4 tpp -170.02 129.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 m -83.96 142.85 30.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 17' ' ' GLN . . . -39.46 -81.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.568 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . . . -36.29 -31.75 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.512 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.734 ' HG2' HD11 ' A' ' 21' ' ' LEU . 19.9 tt0 -61.15 -65.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.566 ' HA ' HD13 ' A' ' 21' ' ' LEU . . . -34.95 -50.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' HG2' HG21 ' A' ' 62' ' ' VAL . 10.4 mt-10 -47.99 -49.76 29.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.5 m -57.89 -58.31 8.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.78 ' H ' HD12 ' A' ' 21' ' ' LEU . 4.3 mp -51.5 -50.39 60.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.868 HD21 HD23 ' A' ' 32' ' ' LEU . 32.0 mt -60.82 -64.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -46.53 -41.93 14.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.89 -33.82 69.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 tptt -66.27 -34.29 77.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.79 12.54 48.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -98.31 121.63 56.37 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.692 0.758 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.19 50.12 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.658 2.239 . . . . 0.0 112.371 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.475 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.8 m95 68.98 35.12 2.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 88.6 m -94.88 97.28 9.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.172 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.775 ' CB ' HD23 ' A' ' 107' ' ' LEU . 20.7 p90 -90.81 157.69 17.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.868 HD23 HD21 ' A' ' 22' ' ' LEU . 2.3 pp -161.9 136.34 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.532 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 6.5 t -98.39 147.39 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.484 ' NH2' HG11 ' A' ' 44' ' ' VAL . 29.0 ptt85 -160.4 147.86 16.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.75 133.99 54.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.813 -179.826 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 3.4 m-85 -120.49 169.13 10.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.484 HG11 ' NH2' ' A' ' 34' ' ' ARG . 40.8 t -134.55 140.42 45.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.8 tp -117.51 117.01 28.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -109.45 141.97 41.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.815 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.71 HG11 HG13 ' A' ' 105' ' ' VAL . 86.8 t -144.07 138.05 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.5 tp -94.25 96.18 9.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.7 p -55.21 160.24 2.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -83.24 1.15 42.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -91.88 114.75 63.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.699 . . . . 0.0 110.947 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 150.03 67.03 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.34 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -57.78 -41.01 81.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -127.52 -45.51 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.61 -146.58 8.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.408 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 91.8 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.44 -31.09 1.95 Allowed Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.9 p -76.71 153.84 83.35 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.631 0.729 . . . . 0.0 110.898 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.67 114.87 3.83 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' PRO . 29.5 mt -37.16 148.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -72.51 145.26 47.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.448 HG21 ' HG2' ' A' ' 19' ' ' GLU . 3.9 t -109.01 141.01 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.404 HG21 HG21 ' A' ' 105' ' ' VAL . 88.3 m -115.4 110.59 19.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -97.68 111.0 23.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.8 mt -114.07 138.07 45.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 147.22 37.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.9 t -123.36 95.95 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.464 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 28.7 mtm -74.31 164.02 27.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 48.0 t -122.69 115.66 22.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -83.99 74.37 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 38.26 66.76 0.58 Allowed Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.509 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.72 -41.77 2.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -101.37 -179.71 4.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.612 ' CD2' HD22 ' A' ' 85' ' ' LEU . 26.6 m-85 -126.36 148.33 49.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.5 t -151.09 167.45 27.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 76' ' ' VAL . 16.8 m -129.24 87.98 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.464 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 73.87 -61.52 2.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.31 -173.28 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.445 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.1 mt -94.19 -21.51 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.736 0.303 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -47.06 169.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.9 p -154.09 159.34 41.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.481 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 50.2 m-85 -141.14 146.63 37.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -44.95 -47.46 11.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.4 p -166.07 -177.1 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.612 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.1 mm? -50.22 -32.08 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.0 m -65.54 -56.75 10.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.54 -35.5 80.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.481 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.2 tt -67.06 -62.76 1.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 85' ' ' LEU . 66.5 t -55.06 -55.86 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.091 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -43.07 -61.54 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -53.56 -23.34 10.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -93.65 -15.98 24.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -74.39 -20.6 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -106.27 -35.05 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.9 p -85.04 -65.55 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.54 147.93 10.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.7 mt -93.33 140.79 15.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 31.1 tt0 -113.4 116.22 29.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 102' ' ' GLY . 39.6 mt-10 -79.64 142.86 35.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -40.37 -58.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.7 p -47.2 -32.33 4.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 132.99 -35.98 2.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.458 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.33 153.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 9.6 m-85 -128.01 118.36 23.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.71 HG13 HG11 ' A' ' 47' ' ' VAL . 55.5 t -90.17 136.37 24.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.475 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 19.3 m-85 -121.49 139.41 53.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.775 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.5 mp -116.26 87.42 2.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.464 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 17.8 mtp180 -82.13 -51.46 7.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -139.84 142.82 32.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.582 0.706 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.419 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.74 -164.37 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.418 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.427 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 86.5 t80 -137.25 111.3 8.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.94 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.419 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 6.0 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.65 173.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 6.4 mp -106.97 -174.05 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.892 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -119.15 25.88 9.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.801 0.334 . . . . 0.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -107.16 122.45 46.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -102.07 -56.03 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.73 -115.45 4.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.434 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -57.07 107.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.777 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.8 tpp -164.27 139.5 5.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.9 m -99.06 145.49 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.47 -62.08 2.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.461 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.52 -25.24 6.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.467 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.88 ' HG2' HD11 ' A' ' 21' ' ' LEU . 18.3 tt0 -73.97 -64.59 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -36.25 -45.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.563 ' HA ' HG21 ' A' ' 62' ' ' VAL . 13.9 mt-10 -53.16 -46.28 68.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 17' ' ' GLN . 65.5 m -63.36 -56.31 17.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.88 HD11 ' HG2' ' A' ' 17' ' ' GLN . 4.8 mp -53.06 -49.59 66.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.738 HD21 HD23 ' A' ' 32' ' ' LEU . 18.3 mt -63.68 -65.4 0.69 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -45.07 -47.7 11.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.99 -32.46 54.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -63.12 -45.54 91.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.54 16.98 80.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.462 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -106.75 120.04 49.53 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.714 0.769 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 143.46 51.11 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.505 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 7.6 m95 70.54 27.52 3.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 83.8 m -89.58 99.48 12.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.721 ' CB ' HD23 ' A' ' 107' ' ' LEU . 16.7 p90 -91.47 163.33 14.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.738 HD23 HD21 ' A' ' 22' ' ' LEU . 1.1 pp -170.91 137.66 1.25 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.4 t -98.54 144.46 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.655 ' HD3' HD11 ' A' ' 32' ' ' LEU . 18.4 ptt85 -156.85 115.06 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' ARG . 1.9 tt0 -34.54 147.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.798 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.816 0.341 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 14.6 m-85 -123.37 175.9 6.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.5 t -142.57 146.75 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 tp -123.98 130.54 52.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -120.23 144.08 47.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.835 HG11 ' CG1' ' A' ' 105' ' ' VAL . 70.1 t -147.43 132.31 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.459 ' CD1' HG22 ' A' ' 62' ' ' VAL . 16.3 tp -89.11 99.73 12.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.5 p -60.14 155.55 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.505 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.9 OUTLIER -79.42 1.4 25.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -98.46 121.55 56.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.565 0.698 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 149.58 66.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.653 2.236 . . . . 0.0 112.379 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -55.51 -56.16 23.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.73 -43.18 4.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.072 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.407 ' HA3' ' HD2' ' A' ' 56' ' ' PRO . . . 170.73 -147.59 10.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.486 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD2' ' HA3' ' A' ' 55' ' ' GLY . 53.2 Cg_endo -69.8 88.01 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.674 2.249 . . . . 0.0 112.325 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 149.74 -30.99 1.12 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.8 p -80.84 154.5 73.13 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.675 0.75 . . . . 0.0 110.84 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 119.81 6.69 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.8 mt -37.94 143.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.29 148.82 50.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.563 HG21 ' HA ' ' A' ' 19' ' ' GLU . 61.6 t -115.98 111.25 34.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.568 HG23 ' OG ' ' B' ' 9' ' ' SER . 98.1 m -79.33 107.31 12.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.527 ' CE1' ' CG1' ' A' ' 62' ' ' VAL . 65.3 m-70 -96.66 116.8 29.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.1 mt -122.42 122.5 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -74.71 118.91 18.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.6 t -89.61 127.74 42.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 50.8 mtm -93.67 169.76 10.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 20.1 t -135.42 124.95 25.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -111.37 99.34 8.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.799 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 46.68 53.29 10.17 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.397 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.29 -42.14 2.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -74.36 175.84 7.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.319 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.666 ' CE2' HD22 ' A' ' 85' ' ' LEU . 42.8 m-85 -128.93 150.01 50.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.5 t -155.71 154.3 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 76' ' ' VAL . 15.6 m -120.07 86.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.097 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.93 21.28 7.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -124.53 154.41 17.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.99 -10.18 57.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.48 -179.93 7.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.1 p -156.27 171.3 20.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 53.7 m-85 -147.34 139.28 24.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -41.64 -54.17 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m -157.28 -177.37 6.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.818 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.666 HD22 ' CE2' ' A' ' 74' ' ' TYR . 4.2 mm? -50.91 -32.81 21.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.7 m -65.52 -53.56 40.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.08 -38.19 90.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.768 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.566 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.4 tt -68.25 -65.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 85' ' ' LEU . 87.8 t -51.03 -55.23 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -46.05 -51.83 13.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -60.62 -22.01 63.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.518 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.8 m-85 -93.58 -17.1 23.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -74.3 -20.19 60.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 pttp -105.1 -39.04 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.8 p -87.07 -60.52 1.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.65 154.67 22.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.414 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.518 HG13 ' CD1' ' A' ' 92' ' ' PHE . 18.0 mt -96.33 145.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.463 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 24.4 tt0 -114.18 102.22 9.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.3 141.7 52.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -44.99 -57.02 4.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.5 m -39.95 -27.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.807 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . 111.06 32.54 2.58 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.473 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -111.21 154.08 24.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.379 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 10.1 m-85 -124.44 107.51 11.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.835 ' CG1' HG11 ' A' ' 47' ' ' VAL . 65.1 t -80.55 141.93 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -124.05 134.45 53.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.721 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.1 mp -111.57 97.46 6.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.443 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 29.6 mtp85 -91.23 -49.97 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -139.89 143.94 36.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.683 0.754 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.439 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.79 -164.1 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -136.09 124.4 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.439 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 7.3 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.938 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.568 ' OG ' HG23 ' A' ' 63' ' ' THR . 12.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.97 176.98 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.744 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 2.4 mp -111.56 -174.88 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.868 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.62 31.14 6.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.717 0.294 . . . . 0.0 110.921 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.44 ' HH ' ' HE2' ' A' ' 43' ' ' PHE . 20.5 t80 -104.06 122.25 44.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -120.95 98.78 6.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.56 151.36 32.47 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 68.33 48.46 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 110.834 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.3 ttp -145.18 118.26 8.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.3 p -82.41 -177.58 6.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.43 ' HA2' ' NH2' ' A' ' 34' ' ' ARG . . . -68.11 -57.21 8.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.499 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -41.29 -38.39 1.92 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.76 ' HG3' HD11 ' A' ' 21' ' ' LEU . 4.7 tp60 -72.46 -58.57 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.32 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.13 -43.33 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.46 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 11.3 mt-10 -53.44 -45.54 69.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.3 m -66.7 -60.04 3.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.76 HD11 ' HG3' ' A' ' 17' ' ' GLN . 5.1 mp -47.52 -35.58 9.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.677 HD21 HD23 ' A' ' 32' ' ' LEU . 30.2 mt -76.71 -59.41 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -50.13 -54.27 21.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.01 -42.39 13.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -59.82 -33.26 71.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.44 24.97 62.28 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -104.0 118.91 55.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.683 0.754 . . . . 0.0 110.823 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 141.55 45.44 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.268 . . . . 0.0 112.388 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.536 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 7.8 m95 68.31 32.83 4.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.413 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 99.0 m -94.31 103.21 15.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.76 ' CB ' HD23 ' A' ' 107' ' ' LEU . 21.5 p90 -93.43 161.24 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.677 HD23 HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -166.56 140.14 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.401 HG11 ' HG ' ' A' ' 85' ' ' LEU . 13.8 t -101.15 152.76 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' NH2' ' HA2' ' A' ' 15' ' ' GLY . 30.8 ptt85 -164.51 118.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -39.7 152.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.78 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.44 ' HE2' ' HH ' ' A' ' 9' ' ' TYR . 68.6 m-85 -136.35 172.16 13.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.3 t -139.04 136.9 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.7 tp -115.74 123.45 48.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.2 m -117.49 142.33 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.782 HG11 HG13 ' A' ' 105' ' ' VAL . 83.8 t -142.38 143.26 26.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 22' ' ' LEU . 22.2 tp -97.17 95.91 8.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.2 p -57.52 148.13 24.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.536 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.5 OUTLIER -71.15 -5.15 29.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -84.28 113.59 49.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.65 0.738 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 148.11 64.29 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -55.66 -46.67 77.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.83 -66.2 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.92 -149.35 5.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 85.91 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.274 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.76 -31.32 1.01 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.6 p -71.13 154.56 93.92 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 115.77 4.25 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.766 2.31 . . . . 0.0 112.321 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.4 mt -38.2 147.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -71.43 151.29 44.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.409 HG21 ' HA ' ' A' ' 19' ' ' GLU . 47.5 t -111.55 145.28 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.45 HG21 HG21 ' A' ' 105' ' ' VAL . 29.6 m -121.53 105.74 10.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.46 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 52.8 m-70 -95.66 111.22 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.0 mt -116.76 121.96 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -67.61 133.22 49.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.2 t -107.23 93.98 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.13 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.44 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 33.4 mtm -57.07 168.82 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 31.7 t -141.16 114.63 8.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -106.8 80.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.13 59.54 9.88 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.38 -43.48 2.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.493 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.499 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 22.3 mtp180 -66.36 171.09 5.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.535 ' CD2' HD22 ' A' ' 85' ' ' LEU . 24.8 m-85 -142.18 142.86 32.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 t -151.75 165.16 35.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 76' ' ' VAL . 29.7 m -124.71 86.37 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.44 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.62 -63.78 2.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.23 170.62 4.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.535 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.7 mt -77.17 -14.28 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -49.26 170.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 p -157.12 165.29 36.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 88' ' ' LEU . 81.1 m-85 -146.7 145.7 30.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.42 -32.13 48.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.461 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 5.4 t -174.84 175.68 2.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.723 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.4 mm? -44.38 -32.98 1.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.9 m -64.58 -59.08 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.434 ' CB ' ' HB3' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -54.03 -39.96 66.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.526 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 9.9 tt -68.24 -59.7 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 85' ' ' LEU . 60.7 t -57.39 -63.58 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -42.19 -55.46 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -59.11 -25.43 63.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 89' ' ' VAL . 2.1 m-85 -93.45 -14.14 27.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.524 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 29.0 mtmt -74.28 -18.18 60.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.451 ' HG3' HG23 ' A' ' 95' ' ' THR . 9.9 pttp -105.88 -44.18 4.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.964 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.451 HG23 ' HG3' ' A' ' 94' ' ' LYS . 44.3 p -82.92 -51.1 7.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.36 170.59 30.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 23.2 mt -115.97 136.31 53.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.778 0.323 . . . . 0.0 111.118 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 54.7 tt0 -104.06 132.66 50.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -99.94 165.78 11.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 101' ' ' SER . . . -68.22 -61.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.062 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' ALA . 1.2 t -35.17 -48.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.02 30.43 0.32 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -114.73 156.21 25.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 10.4 m-85 -124.99 113.89 18.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.918 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.782 HG13 HG11 ' A' ' 47' ' ' VAL . 54.6 t -82.75 131.66 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.518 ' HB2' ' CD2' ' A' ' 29' ' ' TRP . 22.3 m-85 -117.22 133.67 55.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.76 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.3 mp -112.72 74.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.468 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 7.1 mtt180 -75.95 -49.61 17.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -135.76 140.01 32.41 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.59 0.71 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -163.69 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.377 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.455 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 86.6 t80 -134.81 115.86 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.005 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.812 0.339 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.58 -174.17 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.7 mt -121.96 173.38 7.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.407 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 0.0 OUTLIER -122.75 31.15 6.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 110.947 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -105.3 122.68 46.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -100.18 -53.86 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.796 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.52 -136.21 13.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.432 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 25.9 p-80 -55.4 110.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.5 tpp -161.86 126.94 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.799 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.0 p -81.18 -179.29 7.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.87 -60.5 3.88 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.09 -30.36 3.88 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.721 ' O ' HD12 ' A' ' 21' ' ' LEU . 7.2 tt0 -72.75 -64.58 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.926 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.402 ' HB2' ' NE ' ' A' ' 34' ' ' ARG . . . -39.38 -45.69 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.444 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 20.5 mt-10 -53.19 -46.72 69.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.4 m -61.45 -61.96 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.721 HD12 ' O ' ' A' ' 17' ' ' GLN . 5.0 mp -46.55 -50.56 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.549 HD21 HD23 ' A' ' 32' ' ' LEU . 30.5 mt -59.63 -69.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -41.64 -44.17 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.39 70.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' CG ' ' HB2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -59.48 -36.0 75.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.07 29.97 76.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.506 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.409 ' HB2' ' CG ' ' A' ' 25' ' ' LYS . 15.0 mt-10 -117.69 123.59 29.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.707 0.765 . . . . 0.0 110.86 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 143.25 50.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.766 2.31 . . . . 0.0 112.304 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.559 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.8 m95 67.59 34.76 4.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 92.0 m -97.32 97.17 8.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.554 ' CB ' HD23 ' A' ' 107' ' ' LEU . 29.1 p90 -88.52 165.43 14.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.549 HD23 HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -166.89 129.33 1.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.3 t -92.02 132.32 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.402 ' NE ' ' HB2' ' A' ' 18' ' ' ALA . 42.7 ptt85 -147.22 128.46 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.821 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -43.65 151.33 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.871 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.4 t70 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -131.13 172.72 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.7 t -138.05 151.07 24.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.7 tp -126.29 102.57 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 m -99.1 135.45 40.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.603 HG11 HG13 ' A' ' 105' ' ' VAL . 93.3 t -138.99 143.1 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.425 ' HG ' ' CB ' ' A' ' 60' ' ' LEU . 18.4 tp -98.52 97.09 8.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.2 p -54.43 156.83 3.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.457 ' CB ' ' CZ2' ' A' ' 29' ' ' TRP . 10.4 t70 -81.05 1.23 32.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -94.13 115.35 65.09 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.62 0.724 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 152.03 69.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.314 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -58.16 -41.78 84.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -125.64 -58.83 1.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.79 -148.84 5.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 86.47 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.744 2.296 . . . . 0.0 112.394 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.41 -27.0 1.09 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.523 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 99.2 p -79.21 153.21 76.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.628 0.728 . . . . 0.0 110.92 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.3 Cg_endo -69.71 114.77 3.8 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 59.7 mt -36.57 149.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -73.63 147.38 43.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.431 HG21 ' HA ' ' A' ' 19' ' ' GLU . 18.4 t -109.82 148.47 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.2 m -125.47 117.45 23.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.444 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 74.0 m-70 -99.38 120.19 39.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.791 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 53.8 mt -127.11 112.06 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -69.34 117.47 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.0 t -86.2 106.23 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.0 mtm -68.98 156.91 37.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.2 t -133.65 124.04 26.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -114.12 89.38 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.37 49.77 73.08 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.32 -48.27 1.13 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.539 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -65.58 158.48 27.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.808 ' CE2' HD22 ' A' ' 85' ' ' LEU . 25.6 m-85 -123.65 153.52 40.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.962 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 t -159.12 174.32 15.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 76' ' ' VAL . 35.7 m -140.38 105.56 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.213 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 37.96 26.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.481 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -141.03 147.25 18.86 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.405 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.3 mp -59.88 -27.6 66.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -52.44 174.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.1 p -156.31 169.23 25.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.494 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 85.1 m-85 -149.41 138.77 21.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -41.58 -51.61 3.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.7 p -158.88 176.43 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.808 HD22 ' CE2' ' A' ' 74' ' ' TYR . 2.9 mm? -46.49 -31.54 2.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.1 m -64.77 -54.33 33.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -65.66 -33.24 75.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.494 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.2 tt -70.7 -62.02 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 85' ' ' LEU . 64.7 t -55.14 -59.11 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -42.89 -61.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -54.31 -21.52 9.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -93.7 -18.85 21.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -74.07 -18.81 60.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HG3' HG23 ' A' ' 95' ' ' THR . 11.5 ptpt -106.8 -35.72 6.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.918 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.414 HG23 ' HG3' ' A' ' 94' ' ' LYS . 80.7 p -87.83 -40.45 14.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.26 165.9 41.52 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 76.5 mt -118.14 142.27 33.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.539 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 23.9 tt0 -108.8 142.25 39.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -101.66 151.96 21.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -53.88 -59.09 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.5 m -44.79 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.95 30.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.425 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -110.71 156.0 21.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 8.9 m-85 -127.3 114.05 17.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.603 HG13 HG11 ' A' ' 47' ' ' VAL . 83.8 t -84.72 132.19 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.559 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 23.0 m-85 -120.16 132.93 55.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.554 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.6 mp -109.53 96.59 6.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.469 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 33.0 mtp180 -93.58 -45.57 7.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -143.88 142.88 21.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.619 0.723 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.456 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 54.7 Cg_endo -69.69 -165.75 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.634 2.223 . . . . 0.0 112.433 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.434 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 86.1 t80 -137.8 107.97 6.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.456 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 15.7 m-85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.906 0.384 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.49 -175.0 3.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.601 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 89.9 mt -112.47 -175.37 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 p30 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.902 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.475 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -116.9 18.63 14.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.943 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -92.05 124.37 36.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -102.98 -56.37 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.97 -128.92 9.54 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -50.66 101.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.478 ' SD ' ' HB2' ' A' ' 18' ' ' ALA . 29.5 ttm -163.8 139.8 6.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.1 p -104.15 172.48 6.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.35 -61.33 7.61 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.543 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.36 -43.77 7.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.746 ' HG3' HD11 ' A' ' 21' ' ' LEU . 7.4 tp60 -64.04 -64.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 0.0 110.901 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' HB2' ' SD ' ' A' ' 13' ' ' MET . . . -37.48 -44.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -57.01 -45.83 82.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 17' ' ' GLN . 70.5 m -63.8 -55.1 25.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.746 HD11 ' HG3' ' A' ' 17' ' ' GLN . 5.2 mp -53.52 -37.21 62.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.486 ' HG ' HD23 ' A' ' 32' ' ' LEU . 29.9 mt -76.96 -66.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -44.48 -46.42 9.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.89 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -58.66 -40.33 83.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.35 14.62 71.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.508 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -100.64 121.35 53.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.7 58.0 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.566 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.8 m95 67.09 34.59 4.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 92.0 m -97.51 97.75 9.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.671 ' CB ' HD23 ' A' ' 107' ' ' LEU . 26.6 p90 -88.71 154.68 20.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.723 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -154.89 133.84 12.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.516 HG11 ' HG ' ' A' ' 85' ' ' LEU . 17.1 t -95.93 146.44 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -162.8 142.6 9.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.809 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.62 149.43 27.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.1 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.805 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -122.9 177.18 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.7 t -149.69 150.77 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.471 HD21 HD21 ' A' ' 107' ' ' LEU . 14.0 tp -127.14 119.72 27.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.2 m -105.89 142.29 35.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.625 HG11 ' CG1' ' A' ' 105' ' ' VAL . 84.4 t -140.15 133.72 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.429 ' CD1' HG22 ' A' ' 62' ' ' VAL . 17.6 tp -89.95 96.04 10.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.1 p -61.13 156.41 18.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 6.6 t70 -78.61 2.08 20.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -90.56 115.05 63.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.485 0.659 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 145.5 57.25 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -56.35 -47.05 79.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.22 -60.19 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.81 -146.95 5.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 85.44 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.677 2.251 . . . . 0.0 112.363 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.19 -24.98 1.41 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.3 p -78.46 153.48 78.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.692 0.758 . . . . 0.0 110.826 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 115.03 3.91 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.314 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 44.4 mt -37.25 145.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.006 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -66.25 150.25 49.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.429 HG22 ' CD1' ' A' ' 48' ' ' LEU . 69.1 t -119.99 112.49 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.426 HG22 HG13 ' A' ' 65' ' ' ILE . 88.1 m -85.61 122.87 30.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.189 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -101.77 106.84 17.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.546 HD13 HD13 ' A' ' 97' ' ' ILE . 26.4 mt -112.31 102.07 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -64.4 132.35 49.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.7 t -101.04 112.09 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.473 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 45.7 mtm -80.49 157.1 26.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.7 t -126.33 138.08 53.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -128.77 75.1 1.62 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.3 58.17 5.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.43 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.9 -45.33 2.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -71.39 174.7 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.684 ' CE2' HD22 ' A' ' 85' ' ' LEU . 30.2 m-85 -137.88 141.27 40.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 t -144.16 161.26 39.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.144 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.553 ' HB ' HD21 ' B' ' 11' ' ' LEU . 2.2 m -126.16 86.7 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.473 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 76.59 -56.65 3.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.412 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.44 165.74 31.47 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.7 mt -76.44 -23.13 53.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.344 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -50.09 177.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.8 p -155.34 170.07 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.261 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.513 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 58.3 m-85 -146.54 141.63 27.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -39.54 -54.13 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.43 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 17.2 p -161.67 -178.4 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.684 HD22 ' CE2' ' A' ' 74' ' ' TYR . 4.1 mm? -46.9 -30.8 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.1 m -67.49 -60.63 2.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -57.11 -37.06 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.513 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -68.76 -62.67 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 85' ' ' LEU . 84.1 t -53.73 -58.19 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -44.41 -57.75 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -54.65 -23.91 19.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.562 ' CD1' HG13 ' A' ' 97' ' ' ILE . 4.5 m-85 -93.65 -15.66 25.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -74.83 -19.67 60.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.425 ' HG3' HG23 ' A' ' 95' ' ' THR . 21.6 pttt -105.85 -36.06 7.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.425 HG23 ' HG3' ' A' ' 94' ' ' LYS . 70.9 p -87.95 -56.11 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.04 153.07 25.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.427 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.562 HG13 ' CD1' ' A' ' 92' ' ' PHE . 24.2 mt -101.04 139.5 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.335 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.488 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 51.4 tt0 -111.86 118.58 35.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.487 ' OE2' ' HB3' ' A' ' 103' ' ' ALA . 1.7 mp0 -87.67 135.39 33.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -40.37 -52.92 2.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 m -40.24 -39.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.16 28.84 1.18 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.487 ' HB3' ' OE2' ' A' ' 99' ' ' GLU . . . -112.1 152.01 28.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.488 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.7 m-85 -121.69 106.8 11.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.625 ' CG1' HG11 ' A' ' 47' ' ' VAL . 95.6 t -80.43 128.28 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.117 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.566 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.9 m-85 -113.76 128.34 56.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.671 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.3 mp -105.36 87.37 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.457 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 39.3 mtp180 -81.05 -50.01 10.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -141.94 144.06 30.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.549 0.69 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.542 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.8 Cg_endo -69.79 -164.64 0.13 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.685 2.257 . . . . 0.0 112.32 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.438 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 89.7 t80 -133.98 102.59 5.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.542 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 7.2 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.414 ' HB2' HG23 ' A' ' 63' ' ' THR . 17.0 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.3 177.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.553 HD21 ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -107.41 -174.84 2.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.836 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 t -154.99 124.14 6.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.818 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -85.97 126.6 34.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.78 118.4 0.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.9 p -99.62 98.08 8.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.2 m -86.22 122.67 30.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.58 -124.33 4.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.463 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.616 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -123.26 24.73 8.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.807 0.337 . . . . 0.0 110.915 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' OH ' ' CG ' ' A' ' 35' ' ' GLU . 6.2 t80 -98.01 114.3 26.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -92.59 -57.97 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.28 -127.88 9.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -46.06 119.14 2.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.5 ttm -174.7 150.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.5 m -109.75 152.61 25.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.43 -69.48 0.77 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.457 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.86 -27.12 3.15 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.493 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.742 ' HG2' HD11 ' A' ' 21' ' ' LEU . 26.4 tt0 -68.6 -65.3 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.69 0.281 . . . . 0.0 110.858 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HA ' HD13 ' A' ' 21' ' ' LEU . . . -37.35 -50.45 1.04 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.435 ' HA ' HG21 ' A' ' 62' ' ' VAL . 8.5 mt-10 -46.18 -49.01 17.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.3 m -60.29 -62.84 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.767 ' H ' HD12 ' A' ' 21' ' ' LEU . 4.5 mp -46.45 -47.1 19.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.44 -65.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -45.63 -35.85 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.77 97.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -34.72 67.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.98 29.62 73.08 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.418 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -118.97 123.56 28.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 143.4 50.4 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.741 2.294 . . . . 0.0 112.295 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.505 ' CD2' ' HB2' ' A' ' 106' ' ' TYR . 6.9 m95 67.26 31.06 6.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.6 m -92.33 97.03 10.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.792 ' CB ' HD23 ' A' ' 107' ' ' LEU . 26.3 p90 -88.74 159.08 17.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.831 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.589 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -163.0 130.51 3.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.616 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 17.8 t -91.35 139.9 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.419 ' NH1' HG11 ' A' ' 44' ' ' VAL . 2.9 ptm180 -150.05 148.33 28.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.404 ' CG ' ' OH ' ' A' ' 9' ' ' TYR . 33.2 mt-10 -80.78 125.07 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 39' ' ' GLN . 15.9 m -51.9 -174.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.863 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.4 mt -102.67 116.22 32.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t 42.02 25.99 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.434 ' CB ' ' HB2' ' A' ' 36' ' ' SER . 5.6 tp-100 -81.6 136.02 48.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.561 0.696 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 105.07 1.43 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.656 2.237 . . . . 0.0 112.329 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 40.04 64.1 1.16 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.468 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.556 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 13.5 t70 -139.62 165.98 25.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.849 0.356 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 42' ' ' ASP . 3.6 m-85 -145.82 176.09 9.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.419 HG11 ' NH1' ' A' ' 34' ' ' ARG . 74.6 t -145.84 136.68 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.8 tp -111.47 97.16 6.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.0 m -87.47 138.36 31.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.693 HG11 ' CG1' ' A' ' 105' ' ' VAL . 71.8 t -143.25 133.85 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.166 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.0 tp -89.62 96.11 10.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.6 p -58.01 152.57 16.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.414 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 20.2 t70 -77.18 1.23 18.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.954 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -90.85 112.54 54.01 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.529 0.681 . . . . 0.0 110.923 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.52 68.18 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -57.91 -45.19 86.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.932 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.75 -72.91 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -147.72 -154.31 6.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 83.75 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.712 2.275 . . . . 0.0 112.361 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.58 -26.24 0.52 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -76.06 155.78 84.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.675 0.75 . . . . 0.0 110.842 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 114.43 3.71 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.63 2.22 . . . . 0.0 112.331 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.1 mt -39.05 146.38 0.08 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -70.04 153.94 42.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.435 HG21 ' HA ' ' A' ' 19' ' ' GLU . 4.6 t -117.29 124.52 73.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.607 HG21 HG21 ' A' ' 105' ' ' VAL . 53.2 m -95.52 108.48 20.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -96.79 114.51 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.9 mt -123.44 122.69 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.468 ' HG3' ' CE2' ' B' ' 8' ' ' PTR . 37.4 mttt -74.6 125.73 29.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 50.3 t -100.73 101.5 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.8 mtm -66.73 169.91 7.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.7 t -136.0 132.08 35.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -122.15 87.99 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.77 52.13 54.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.78 -38.66 3.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.499 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -75.4 174.67 9.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.527 ' CD2' HD22 ' A' ' 85' ' ' LEU . 29.4 m-85 -138.13 148.18 44.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 t -148.3 160.48 42.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 76' ' ' VAL . 34.9 m -125.77 91.13 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 48.65 18.24 0.96 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.443 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.486 ' HA3' HD22 ' B' ' 13' ' ' LEU . . . -124.22 163.54 17.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.462 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 76.7 mt -76.21 -20.43 57.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.26 169.45 15.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.7 p -145.56 172.77 12.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.492 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 78.3 m-85 -148.79 135.9 20.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.05 -52.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.481 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 7.1 t -162.02 178.14 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.579 ' O ' HG23 ' A' ' 89' ' ' VAL . 3.4 mm? -45.76 -30.49 1.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.0 m -65.24 -59.71 3.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -60.76 -38.43 85.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.492 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 8.6 tt -65.7 -65.59 0.66 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 85' ' ' LEU . 91.9 t -50.49 -57.7 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -44.74 -55.61 5.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -57.01 -22.49 39.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.586 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.9 m-85 -93.8 -24.05 17.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -67.99 -17.52 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.507 ' HG3' HG23 ' A' ' 95' ' ' THR . 3.0 ptpt -104.81 -32.87 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.974 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.507 HG23 ' HG3' ' A' ' 94' ' ' LYS . 45.2 p -98.29 -69.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.413 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . 118.21 156.96 10.4 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.586 HG13 ' CD1' ' A' ' 92' ' ' PHE . 21.1 mt -99.42 137.99 25.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.738 0.304 . . . . 0.0 111.176 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.592 ' OE1' ' CD1' ' A' ' 104' ' ' PHE . 4.6 tp10 -102.33 128.98 48.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 102' ' ' GLY . 19.4 mt-10 -97.08 128.95 44.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -34.17 -40.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.0 m -54.15 -48.11 71.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.825 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 133.84 29.2 0.47 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.494 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -116.91 150.05 39.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.352 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.592 ' CD1' ' OE1' ' A' ' 98' ' ' GLU . 10.2 m-85 -118.46 108.36 14.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.693 ' CG1' HG11 ' A' ' 47' ' ' VAL . 77.9 t -73.74 136.16 25.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.187 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.505 ' HB2' ' CD2' ' A' ' 29' ' ' TRP . 18.8 m-85 -117.55 141.46 48.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.792 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.4 mp -122.44 90.63 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.469 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 33.3 mtp85 -85.49 -43.78 13.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -144.44 141.66 18.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 54.0 Cg_endo -69.68 -164.71 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.349 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -130.09 111.25 12.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.517 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 16.9 m-85 -95.46 147.42 23.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.4 t -110.66 89.93 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 156.14 88.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.524 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 171.44 14.45 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.623 2.216 . . . . 0.0 112.396 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.1 m -106.51 -49.4 3.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.0 m -82.15 169.41 16.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.501 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 36.7 mtm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.764 0.316 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -137.11 147.93 46.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -66.7 84.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -48.65 -42.52 34.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 174.93 -159.56 28.1 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 16.0 m -139.67 138.73 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.444 HG22 ' N ' ' B' ' 8' ' ' PTR . 8.3 mm -66.23 155.76 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.468 ' CE2' ' HG3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -46.75 110.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.539 ' O ' HD12 ' B' ' 11' ' ' LEU . 3.3 m-20 -50.33 178.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.628 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 3.2 mp -124.39 -174.33 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.495 ' ND2' ' N ' ' B' ' 13' ' ' LEU . 0.4 OUTLIER -93.91 -61.88 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.602 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -36.71 -53.43 1.83 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.61 0.719 . . . . 0.0 110.949 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.3 Cg_endo -69.77 152.2 69.19 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.212 0 C-N-CA 122.692 2.261 . . . . 0.0 112.336 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -97.41 103.91 15.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 110.888 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -76.59 91.35 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.813 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.49 -162.18 4.12 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.557 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -80.4 177.12 9.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.95 0.405 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 m -119.04 -56.18 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.926 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.1 -138.08 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.544 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -115.02 27.29 9.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.775 0.321 . . . . 0.0 110.892 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -105.6 125.1 50.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -108.48 -61.92 1.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 12' ' ' HIS . . . 85.59 167.36 43.3 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.468 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 11' ' ' GLY . 10.5 m80 36.98 47.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.6 ttm -130.28 137.9 50.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 p -95.47 179.36 5.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.94 -61.29 4.1 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.5 -29.65 1.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.511 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.823 ' HG3' HD11 ' A' ' 21' ' ' LEU . 32.4 tp60 -72.7 -64.7 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -38.63 -43.21 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.426 ' HA ' HG21 ' A' ' 62' ' ' VAL . 6.7 mt-10 -54.59 -45.6 73.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 78.5 m -64.43 -56.04 16.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.823 HD11 ' HG3' ' A' ' 17' ' ' GLN . 4.9 mp -53.92 -52.48 60.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.495 ' CG ' HD23 ' A' ' 32' ' ' LEU . 30.6 mt -59.0 -62.53 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -47.8 -49.1 29.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.74 -41.74 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -55.34 -35.39 65.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.65 28.61 71.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -116.17 121.92 32.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 143.22 50.03 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.351 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.53 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.1 m95 70.42 28.11 3.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.2 m -90.28 99.4 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.565 ' CB ' HD23 ' A' ' 107' ' ' LEU . 21.4 p90 -91.71 162.76 14.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.495 HD23 ' CG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -163.56 137.34 5.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.588 HG11 ' HG ' ' A' ' 85' ' ' LEU . 21.8 t -98.31 136.79 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.605 ' NH2' HG11 ' A' ' 44' ' ' VAL . 48.4 ptt85 -148.85 164.25 35.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -96.59 166.29 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.2 t -108.37 113.62 26.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 mt -46.42 -63.19 1.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.8 m -50.61 -51.08 52.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -105.19 91.63 4.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.596 0.712 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 3.71 2.61 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.416 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.3 -29.67 3.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.87 171.04 10.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.427 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 8.9 m-85 -129.66 175.29 8.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.605 HG11 ' NH2' ' A' ' 34' ' ' ARG . 24.8 t -148.78 143.84 18.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.4 tp -119.87 117.66 28.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 m -107.87 145.18 34.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.615 HG11 ' CG1' ' A' ' 105' ' ' VAL . 97.0 t -146.75 141.89 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.498 ' CD1' HG22 ' A' ' 62' ' ' VAL . 16.9 tp -98.74 97.93 9.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 p -60.2 150.47 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -72.29 -4.99 32.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.889 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 44.6 mt-30 -84.27 112.33 40.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.587 0.708 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 51' ' ' GLN . 54.3 Cg_endo -69.82 147.43 62.47 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 5.9 mtpm? -54.83 -57.24 12.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.62 -45.99 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.99 -147.75 9.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 88.22 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.296 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.5 -30.05 1.3 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.529 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 p -79.18 155.3 77.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.685 0.755 . . . . 0.0 110.859 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 114.64 3.76 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.752 2.301 . . . . 0.0 112.327 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.9 mt -37.31 149.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.5 tpt85 -69.63 147.48 50.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.498 HG22 ' CD1' ' A' ' 48' ' ' LEU . 42.1 t -115.4 125.5 72.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.7 m -99.45 117.83 34.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -105.85 114.68 28.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.592 HD13 HG21 ' A' ' 97' ' ' ILE . 16.1 mt -118.43 131.38 71.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -72.39 141.59 48.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.0 t -115.42 99.36 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.431 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 29.4 mtm -71.7 157.9 37.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 46.7 t -116.5 115.13 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -101.89 88.72 3.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 49.98 69.33 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.07 -34.63 2.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -81.35 -178.27 6.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.663 ' CD2' HD22 ' A' ' 85' ' ' LEU . 27.4 m-85 -140.11 147.14 39.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.6 t -152.06 163.33 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 76' ' ' VAL . 9.2 m -126.36 86.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.093 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.431 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 81.74 -76.05 2.24 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.475 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.766 ' H ' HD12 ' B' ' 13' ' ' LEU . . . -47.75 176.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.9 mt -84.65 -17.65 37.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.829 0.347 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.431 ' O ' ' CG2' ' A' ' 81' ' ' THR . 17.8 mt-10 -46.34 172.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 80.7 p -158.87 153.01 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.509 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 64.4 m-85 -134.09 140.46 46.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -45.81 -33.26 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.9 m -172.97 -177.6 1.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.663 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.7 mm? -52.06 -28.33 16.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.9 m -66.07 -58.68 4.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.455 ' CB ' ' HB3' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -58.4 -35.01 71.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.509 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.2 tt -69.9 -59.83 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 85' ' ' LEU . 65.7 t -58.32 -61.73 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -43.56 -54.94 4.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -61.01 -22.89 64.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 89' ' ' VAL . 4.4 m-85 -93.7 -15.27 25.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -74.31 -16.59 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.475 ' HG3' HG23 ' A' ' 95' ' ' THR . 24.5 pttt -106.33 -37.47 6.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.475 HG23 ' HG3' ' A' ' 94' ' ' LYS . 72.9 p -90.09 -45.39 9.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.36 169.18 40.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.592 HG21 HD13 ' A' ' 65' ' ' ILE . 20.7 mt -110.54 136.11 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.158 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.545 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 25.1 tt0 -105.62 111.48 24.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 102' ' ' GLY . 77.8 mt-10 -69.91 137.5 51.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 99' ' ' GLU . . . -34.33 -58.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -47.7 -43.27 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 146.53 -35.24 1.33 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.458 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.39 152.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 0.0 111.109 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.9 m-85 -125.05 120.54 31.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.813 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.615 ' CG1' HG11 ' A' ' 47' ' ' VAL . 98.2 t -90.46 136.51 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.53 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.1 m-85 -119.88 133.12 55.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.565 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.1 mp -111.51 90.3 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -85.82 -48.65 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.2 pm0 -142.59 142.2 22.5 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.548 0.69 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 53.6 Cg_endo -69.76 -164.17 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 77.5 t80 -130.67 125.04 32.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.983 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -107.24 157.36 17.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.3 p -106.07 121.42 44.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -166.69 -93.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 168.2 22.19 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.3 t -128.21 167.83 16.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.1 m -156.78 142.64 17.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.449 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mmt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.71 0.29 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.37 116.71 13.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -103.27 116.9 33.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -115.84 111.1 19.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.32 -141.81 15.8 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -124.78 145.54 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 111.156 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 mm -73.06 148.2 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.1 m -63.46 105.95 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.66 -177.43 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.81 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.479 ' CD1' ' N ' ' B' ' 11' ' ' LEU . 0.4 OUTLIER -113.91 172.49 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.539 ' C ' ' ND2' ' B' ' 12' ' ' ASN . 0.0 OUTLIER -83.41 -36.65 24.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.766 HD12 ' H ' ' A' ' 78' ' ' GLY . 0.2 OUTLIER -35.22 -54.37 1.12 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.614 0.721 . . . . 0.0 110.939 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.5 Cg_endo -69.77 160.2 50.58 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.708 2.272 . . . . 0.0 112.371 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.177 0 C-N-CA 122.674 2.249 . . . . 0.0 112.298 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.9 p -116.85 111.31 19.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -147.39 158.14 43.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.14 -136.45 5.86 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -104.19 101.8 11.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 110.936 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -74.21 -42.78 59.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.89 -125.82 2.12 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.526 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.473 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -116.22 25.43 10.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.713 0.292 . . . . 0.0 110.829 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -97.18 121.78 39.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.546 ' CD2' HD13 ' A' ' 32' ' ' LEU . 54.5 m-70 -97.41 -53.04 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.99 -106.79 3.43 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.415 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 1.1 p80 -69.43 107.38 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.2 ttp -175.12 131.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.2 m -84.84 -178.6 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.797 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 17' ' ' GLN . . . -70.35 -73.03 0.81 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.39 -26.38 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.543 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.802 ' HG2' HD11 ' A' ' 21' ' ' LEU . 19.6 tt0 -67.23 -65.97 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -37.98 -39.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.442 ' HG2' HG21 ' A' ' 62' ' ' VAL . 10.0 mt-10 -58.25 -43.27 87.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' GLN . 70.5 m -68.48 -44.99 73.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.802 HD11 ' HG2' ' A' ' 17' ' ' GLN . 5.1 mp -64.81 -37.97 89.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.664 HD21 HD23 ' A' ' 32' ' ' LEU . 61.9 mt -76.64 -56.91 4.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.433 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 90.9 mt-30 -53.65 -44.28 69.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.86 -39.27 71.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -61.71 -41.22 97.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.89 24.11 76.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -108.6 122.4 40.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 143.91 52.31 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.556 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.8 m95 67.15 36.47 4.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 99.0 m -99.86 96.68 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.166 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.66 ' CB ' HG22 ' A' ' 47' ' ' VAL . 14.1 p90 -92.15 164.82 13.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.833 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.664 HD23 HD21 ' A' ' 22' ' ' LEU . 1.8 pp -166.76 137.89 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.473 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 59.7 t -93.6 142.0 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -158.82 147.3 18.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -80.11 158.46 26.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t -98.51 164.91 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 37' ' ' LEU . 4.4 mp -109.54 -47.4 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.4 t -67.43 -62.64 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -68.01 122.16 82.79 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.619 0.723 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 113.62 3.43 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.71 2.273 . . . . 0.0 112.403 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.86 54.24 34.93 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.423 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.33 127.94 36.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.448 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 43.5 m-85 -90.94 155.76 18.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 65' ' ' ILE . 21.2 t -133.79 144.82 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.5 tp -119.06 108.33 14.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.6 m -103.15 134.38 46.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.66 HG22 ' CB ' ' A' ' 31' ' ' PHE . 85.3 t -136.75 143.59 34.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.426 ' CD1' HG22 ' A' ' 62' ' ' VAL . 17.5 tp -98.96 98.92 9.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.4 p -60.15 155.2 17.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.531 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.7 OUTLIER -75.89 -0.49 21.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -90.29 115.67 64.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.537 0.684 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 150.84 68.89 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.655 2.237 . . . . 0.0 112.357 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -57.43 -50.69 72.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.25 -45.93 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.055 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.77 -145.99 7.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 93.02 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.642 2.228 . . . . 0.0 112.322 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 140.96 -31.59 2.18 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.8 p -75.86 153.76 85.01 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.701 0.762 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.433 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.72 115.73 4.22 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.72 2.28 . . . . 0.0 112.384 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 59' ' ' PRO . 46.3 mt -35.62 153.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 -74.79 145.48 42.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.442 HG21 ' HG2' ' A' ' 19' ' ' GLU . 21.4 t -112.09 135.95 49.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 65.1 m -111.27 108.36 17.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.411 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 75.7 m-70 -91.98 119.74 31.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.519 ' O ' HG13 ' A' ' 44' ' ' VAL . 37.5 mt -118.27 129.01 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' CG ' ' HD2' ' B' ' 8' ' ' PTR . 33.3 mtmt -85.4 104.09 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.9 t -79.02 115.03 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.413 ' HE3' ' H ' ' A' ' 77' ' ' GLY . 25.7 mtm -86.49 149.62 24.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.3 t -111.46 120.06 40.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -108.82 84.92 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.29 54.11 36.98 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.98 -36.4 3.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -80.37 166.65 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.697 ' CD2' HD22 ' A' ' 85' ' ' LEU . 24.1 m-85 -121.6 139.92 52.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.988 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.6 t -139.97 148.07 41.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 76' ' ' VAL . 30.0 m -112.62 88.04 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.413 ' H ' ' HE3' ' A' ' 68' ' ' MET . . . 46.94 28.43 3.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -133.77 160.69 24.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.24 -19.27 62.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.46 177.62 3.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.7 p -151.03 171.33 17.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 84.0 m-85 -148.39 127.72 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 82' ' ' PHE . 3.4 m-20 -34.44 -55.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.443 ' HA ' ' CE2' ' A' ' 74' ' ' TYR . 6.9 t -153.61 -175.3 5.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.697 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.4 mm? -54.49 -33.76 60.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.9 m -60.98 -56.84 16.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.22 -44.22 95.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.893 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.9 tt -63.6 -65.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 85' ' ' LEU . 96.5 t -50.7 -58.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -45.51 -56.42 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -56.24 -21.34 22.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.548 ' HD2' HD23 ' A' ' 88' ' ' LEU . 4.6 m-85 -93.79 -24.19 17.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -67.21 -20.71 65.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.453 ' HG3' HG23 ' A' ' 95' ' ' THR . 7.1 pttp -104.73 -41.0 5.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.453 HG23 ' HG3' ' A' ' 94' ' ' LYS . 68.1 p -82.16 -55.0 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.33 162.61 21.72 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.46 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.502 HG13 ' CD1' ' A' ' 92' ' ' PHE . 46.3 mt -116.39 133.1 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.552 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 17.9 tt0 -104.92 133.64 49.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -95.08 143.15 26.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -38.01 -65.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.7 p -41.5 -37.11 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.13 -32.54 2.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.43 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.85 154.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.1 m-85 -126.66 120.25 29.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.65 ' CG1' HG11 ' A' ' 47' ' ' VAL . 93.6 t -92.28 134.66 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.556 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.7 m-85 -121.92 137.11 54.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.645 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.7 mp -113.28 99.96 8.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.826 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.463 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 37.4 mtp180 -96.77 -45.38 6.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -143.54 143.5 24.06 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.548 0.69 . . . . 0.0 110.956 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -164.08 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.472 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 91.2 t80 -141.89 109.88 5.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -95.27 123.44 38.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 97.6 p -44.99 167.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.8 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.34 86.21 0.83 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -40.72 4.92 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 117' ' ' SER . 10.7 t -136.44 155.14 50.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 116' ' ' SER . 1.5 t -34.64 101.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.089 -0.839 . . . . 0.0 112.481 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ttt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -171.91 123.21 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.81 105.59 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -118.15 -27.58 6.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -126.19 -162.83 11.38 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 32.9 m -119.53 144.3 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 mm -75.74 144.1 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.411 ' HD2' ' CG ' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 68.4 m -48.05 169.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.83 -175.09 3.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.462 HD21 ' CG2' ' A' ' 97' ' ' ILE . 63.2 mt -111.68 -175.14 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.414 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 0.8 OUTLIER -80.84 -46.39 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.627 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -47.21 -52.27 36.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.9 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.9 Cg_endo -69.76 148.32 64.84 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.643 2.229 . . . . 0.0 112.356 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.148 0 C-N-CA 122.701 2.267 . . . . 0.0 112.315 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.2 p -61.07 170.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 0.0 110.842 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.3 p -74.41 -54.65 7.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.79 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.5 146.12 5.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -78.96 137.81 37.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 110.855 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 m -110.62 -53.3 2.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.5 -141.34 16.04 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.68 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -115.05 26.91 9.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 0.0 110.943 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -106.91 99.15 8.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.453 ' CE1' ' HB3' ' A' ' 113' ' ' SER . 35.3 m-70 -71.86 -60.47 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.3 -114.94 2.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.513 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 3.3 p80 -76.35 119.95 20.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 110.84 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.459 ' HG2' ' N ' ' A' ' 14' ' ' SER . 35.5 ttm -173.49 149.83 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.459 ' N ' ' HG2' ' A' ' 13' ' ' MET . 6.7 p -108.18 159.15 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -49.06 -60.53 6.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.4 -36.44 2.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.533 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.731 ' HG3' HD11 ' A' ' 21' ' ' LEU . 11.5 tp60 -71.22 -64.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -38.28 -44.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.481 ' HA ' HG21 ' A' ' 62' ' ' VAL . 8.6 mt-10 -55.72 -46.1 77.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.1 m -63.19 -50.99 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.731 HD11 ' HG3' ' A' ' 17' ' ' GLN . 5.2 mp -58.28 -47.11 84.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.462 HD21 HD23 ' A' ' 32' ' ' LEU . 35.2 mt -64.58 -58.12 7.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -53.28 -36.06 60.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.67 -32.29 73.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -66.49 -41.98 88.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.801 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.33 3.03 60.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -90.12 118.83 69.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 142.04 46.92 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.481 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.3 m95 73.58 26.57 1.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.1 m -89.01 100.38 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.793 ' CB ' HD23 ' A' ' 107' ' ' LEU . 18.4 p90 -93.49 152.48 19.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -156.23 134.89 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.68 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 17.1 t -92.71 141.54 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -150.08 162.01 41.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -94.11 138.97 31.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.6 t -79.92 153.98 28.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.8 mt -96.87 -41.67 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.1 m -61.11 -55.92 26.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -100.24 105.11 34.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.568 0.699 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 3.59 2.7 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.635 2.224 . . . . 0.0 112.316 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.14 31.05 2.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.46 160.93 39.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.864 0.364 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.519 ' CZ ' ' OH ' ' A' ' 74' ' ' TYR . 6.0 m-85 -118.24 171.48 8.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.3 t -145.44 141.79 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 tp -116.71 122.04 43.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -107.49 148.59 28.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.791 HG11 ' CG1' ' A' ' 105' ' ' VAL . 74.0 t -152.37 133.23 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 22' ' ' LEU . 18.1 tp -91.2 96.89 10.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 p -57.18 152.24 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.479 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 14.4 t70 -77.51 1.19 20.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -96.47 121.04 61.11 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.555 0.693 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 147.62 63.69 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.383 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -54.74 -45.42 74.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.42 -49.01 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.044 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.408 ' HA3' ' HD2' ' A' ' 56' ' ' PRO . . . 176.82 -148.12 8.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.408 ' HD2' ' HA3' ' A' ' 55' ' ' GLY . 53.2 Cg_endo -69.77 86.24 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.3 -27.5 1.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.53 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.1 p -82.59 153.47 67.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.683 0.754 . . . . 0.0 110.816 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.0 Cg_endo -69.76 116.25 4.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' PRO . 57.9 mt -33.94 146.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -73.42 147.17 44.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' CE1' ' A' ' 64' ' ' HIS . 60.9 t -112.48 117.74 56.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.478 HG21 HG21 ' A' ' 105' ' ' VAL . 96.0 m -88.98 109.83 20.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.5 ' CE1' ' CG1' ' A' ' 62' ' ' VAL . 76.6 m-70 -99.3 109.29 21.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.427 HD13 HD13 ' A' ' 97' ' ' ILE . 18.3 mt -111.28 128.25 67.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.532 ' HG3' ' CD1' ' B' ' 8' ' ' PTR . 6.4 mtmp? -72.59 134.56 45.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.2 t -109.88 94.29 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.482 ' HE3' ' H ' ' A' ' 77' ' ' GLY . 28.7 mtm -73.17 165.27 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 33.4 t -122.6 126.58 48.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -129.06 118.45 22.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.45 27.9 68.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.06 -19.59 52.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.416 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.431 ' CB ' ' HB ' ' A' ' 81' ' ' THR . 1.7 mpt_? -88.96 -178.38 5.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.706 ' CD2' HD22 ' A' ' 85' ' ' LEU . 31.7 m-85 -120.63 143.98 48.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -142.87 169.76 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 76' ' ' VAL . 9.6 m -134.64 88.88 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.482 ' H ' ' HE3' ' A' ' 68' ' ' MET . . . 53.37 20.1 9.93 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.508 ' HA3' HD22 ' B' ' 13' ' ' LEU . . . -132.62 165.47 23.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.553 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.7 mt -76.6 -15.83 59.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.736 0.303 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -67.6 168.52 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.431 ' HB ' ' CB ' ' A' ' 73' ' ' ARG . 65.6 p -151.62 158.26 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 60.0 m-85 -135.11 131.66 37.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 82' ' ' PHE . 2.0 m-20 -34.27 -43.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.485 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 3.1 m -166.63 176.99 6.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.706 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.1 mm? -45.13 -29.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.0 m -67.11 -57.11 7.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.81 -29.56 68.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.542 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 8.4 tt -77.06 -64.85 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.652 HG11 ' CE2' ' A' ' 31' ' ' PHE . 96.8 t -53.1 -58.0 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -44.9 -57.99 3.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -54.23 -22.14 10.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.496 ' CD1' HG13 ' A' ' 97' ' ' ILE . 2.6 m-85 -93.56 -21.0 19.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.4 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 35.3 mtmt -71.92 -15.32 62.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.553 ' HG3' HG23 ' A' ' 95' ' ' THR . 18.0 pttt -106.23 -36.68 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.553 HG23 ' HG3' ' A' ' 94' ' ' LYS . 72.3 p -95.24 -63.0 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.51 158.6 16.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.541 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.496 HG13 ' CD1' ' A' ' 92' ' ' PHE . 22.1 mt -99.59 146.32 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 111.181 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 29.7 tt0 -119.0 111.53 18.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -78.36 136.96 37.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -43.0 -55.72 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 100' ' ' ALA . 1.7 t -37.04 -48.79 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.09 29.92 0.33 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -114.72 155.62 26.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.52 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 10.5 m-85 -124.81 117.14 23.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.791 ' CG1' HG11 ' A' ' 47' ' ' VAL . 85.1 t -88.19 136.98 21.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.481 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 20.0 m-85 -121.07 143.42 49.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.793 HD23 ' CB ' ' A' ' 31' ' ' PHE . 2.4 mp -121.86 93.28 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.456 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 22.2 mtp85 -88.39 -49.03 7.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -140.37 143.48 33.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.72 . . . . 0.0 110.962 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.507 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.82 -166.79 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -132.03 112.11 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.507 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.3 m-85 -96.47 119.3 34.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.453 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 4.9 p -71.17 -48.28 52.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 68.63 77.4 0.38 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.51 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 107.8 1.93 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.78 2.32 . . . . 0.0 112.308 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.7 t -98.02 -53.13 3.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.5 t -99.27 97.12 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.434 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.0 tpp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.782 0.325 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.94 -65.07 1.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -48.65 151.19 1.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.678 ' H ' ' NE2' ' B' ' 4' ' ' GLN . 1.6 pm0 -133.37 154.69 50.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.29 140.6 10.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.1 m -91.77 146.98 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.792 0.33 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.482 HG22 ' N ' ' B' ' 8' ' ' PTR . 9.7 mm -68.98 158.36 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.532 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.469 ' HB2' HG23 ' A' ' 63' ' ' THR . 3.1 m -50.39 112.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.83 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.497 ' O ' HD12 ' B' ' 11' ' ' LEU . 1.5 m-20 -61.65 -179.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 2.6 mp -119.53 -174.28 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.524 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 1.8 p30 -79.37 -54.84 5.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.66 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -42.83 -51.3 12.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.906 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.66 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.5 Cg_endo -69.79 154.87 67.1 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.742 2.294 . . . . 0.0 112.342 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 t -51.23 151.65 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.927 0.394 . . . . 0.0 110.831 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 p -142.53 145.21 33.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.99 -74.18 1.28 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 m 39.99 47.2 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.908 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -79.11 -65.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.62 -113.52 3.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.55 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -114.42 28.64 8.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.75 0.31 . . . . 0.0 110.93 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -104.86 110.23 22.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -85.54 -53.24 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.2 -92.17 1.08 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -75.11 97.91 3.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 110.816 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.6 ttm -153.74 152.82 31.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.4 m -120.44 155.76 32.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.75 -69.29 0.89 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.538 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.51 -30.26 3.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.781 ' HG2' HD11 ' A' ' 21' ' ' LEU . 6.8 tt0 -72.63 -65.34 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 110.963 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -35.69 -46.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.459 ' HA ' HG21 ' A' ' 62' ' ' VAL . 25.0 mt-10 -57.11 -47.18 81.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' GLN . 91.4 m -60.05 -47.44 85.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.781 HD11 ' HG2' ' A' ' 17' ' ' GLN . 5.2 mp -61.18 -47.09 87.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.421 HD13 HG13 ' A' ' 62' ' ' VAL . 44.0 mt -66.47 -63.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.416 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 95.2 mt-30 -48.2 -47.91 35.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.46 -42.65 74.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -55.63 -34.89 65.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.97 22.2 64.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -108.53 120.59 45.94 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.635 0.731 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 143.36 50.31 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.566 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.8 m95 69.07 32.99 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 85.2 m -97.11 97.26 9.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.683 ' CB ' HG22 ' A' ' 47' ' ' VAL . 26.8 p90 -91.55 155.5 18.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.525 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -158.93 129.8 6.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.55 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 6.0 t -88.81 143.02 12.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.059 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -153.74 124.89 7.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -39.82 160.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.42 ' HB2' ' C ' ' A' ' 42' ' ' ASP . 1.1 t -100.99 105.35 16.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.4 mt -58.61 -59.37 5.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.9 t -42.22 -71.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.45 HE21 ' N ' ' A' ' 40' ' ' PRO . 0.9 OUTLIER -91.83 119.96 68.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.657 0.741 . . . . 0.0 110.891 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' N ' HE21 ' A' ' 39' ' ' GLN . 54.0 Cg_endo -69.8 104.68 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.84 -27.5 6.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.55 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.42 ' C ' ' HB2' ' A' ' 36' ' ' SER . 23.3 t70 -72.68 166.58 22.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -130.86 172.29 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.5 t -144.76 145.58 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.637 HD21 HD21 ' A' ' 107' ' ' LEU . 15.5 tp -118.61 90.19 3.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 t -84.63 136.41 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.83 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.683 HG22 ' CB ' ' A' ' 31' ' ' PHE . 74.9 t -140.05 140.7 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.415 HD22 ' O ' ' A' ' 22' ' ' LEU . 23.3 tp -95.26 96.14 8.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 p -59.21 144.59 45.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.553 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.5 OUTLIER -68.17 -3.5 10.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -87.62 115.91 64.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.516 0.674 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 150.72 68.65 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.33 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -59.49 -46.17 89.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.09 -48.97 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.01 -148.62 9.02 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.495 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 83.15 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.71 -24.97 0.74 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.427 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.5 p -84.6 153.2 61.29 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 60' ' ' LEU . 53.8 Cg_endo -69.72 114.1 3.59 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.3 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 59' ' ' PRO . 83.6 mt -34.52 147.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -70.04 146.27 51.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.459 HG21 ' HA ' ' A' ' 19' ' ' GLU . 59.3 t -113.34 115.16 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.514 HG21 HG21 ' A' ' 105' ' ' VAL . 78.6 m -85.82 121.64 28.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -107.58 106.52 16.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.7 mt -114.28 125.2 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.512 ' HG3' ' CD2' ' B' ' 8' ' ' PTR . 36.9 mtpt -78.3 136.14 37.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.952 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 74' ' ' TYR . 21.4 t -108.46 99.31 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.454 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 20.5 mtm -67.54 151.1 47.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.2 t -131.58 115.84 16.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -112.65 103.89 11.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.91 -42.45 2.7 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 174.72 -26.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -79.95 164.79 23.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.371 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.633 ' CD2' HD22 ' A' ' 85' ' ' LEU . 28.5 m-85 -118.35 141.98 47.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.1 t -147.72 156.58 42.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 76' ' ' VAL . 8.2 m -121.39 87.55 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.454 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 50.64 23.77 7.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.489 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.24 158.93 21.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 23.5 mt -71.91 -17.01 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 81' ' ' THR . 9.6 mt-10 -67.54 178.96 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 64.0 p -160.13 158.12 29.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 63.8 m-85 -138.88 145.56 40.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.26 -51.95 30.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.504 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 3.2 m -158.04 179.22 9.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.633 HD22 ' CD2' ' A' ' 74' ' ' TYR . 4.4 mm? -47.72 -33.42 6.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.7 m -65.1 -55.03 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -62.02 -37.19 83.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.505 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.7 tt -70.57 -65.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 85' ' ' LEU . 72.4 t -48.81 -57.75 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -44.94 -55.42 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -58.01 -21.6 45.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.453 ' HD2' HD23 ' A' ' 88' ' ' LEU . 4.0 m-85 -93.64 -24.52 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -66.54 -17.8 65.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HG3' HG23 ' A' ' 95' ' ' THR . 12.2 ptpt -106.43 -37.08 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.473 HG23 ' HG3' ' A' ' 94' ' ' LYS . 65.0 p -90.12 -59.99 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.59 155.89 23.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.578 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 22.9 mt -98.83 143.78 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.731 0.3 . . . . 0.0 111.149 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.416 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 26.8 tt0 -113.45 111.34 21.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -78.58 137.45 37.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -38.68 -55.87 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.4 p -40.9 -39.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 126.36 21.55 1.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -99.5 156.56 16.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 111.084 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.416 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 9.9 m-85 -127.73 103.75 7.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.679 ' CG1' HG11 ' A' ' 47' ' ' VAL . 90.0 t -76.29 136.57 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.566 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.5 m-85 -117.6 126.02 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.637 HD21 HD21 ' A' ' 45' ' ' LEU . 2.2 mp -102.11 75.78 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.518 ' HG3' ' CD1' ' A' ' 29' ' ' TRP . 2.5 mmp_? -72.26 -57.39 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 -134.05 142.35 43.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 53.4 Cg_endo -69.7 -163.67 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.473 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 67.5 t80 -142.58 115.62 8.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -93.8 -52.79 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.6 p -174.73 168.15 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -102.92 144.54 16.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 117' ' ' SER . 53.7 Cg_endo -69.7 130.04 18.71 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.1 t -53.32 88.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 115' ' ' PRO . 4.1 m 55.1 39.36 31.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.503 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -147.61 126.15 12.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -155.31 115.61 3.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -98.84 156.15 17.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 88.78 101.94 0.99 Allowed Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.524 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.8 m -80.02 145.44 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.774 0.321 . . . . 0.0 111.102 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.446 HG22 ' N ' ' B' ' 8' ' ' PTR . 12.8 mm -66.99 155.16 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.512 ' CD2' ' HG3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -81.19 115.65 20.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.813 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.544 ' C ' HD12 ' B' ' 11' ' ' LEU . 0.5 OUTLIER -70.61 -175.59 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.544 HD12 ' C ' ' B' ' 10' ' ' ASP . 0.7 OUTLIER -115.95 -174.71 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.503 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 4.3 p30 -77.39 -54.12 6.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.628 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -42.07 -52.21 9.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.892 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.628 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.3 Cg_endo -69.84 149.78 66.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.34 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -46.0 155.7 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.5 m -105.92 144.26 32.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.44 -155.76 7.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 m 54.64 47.61 22.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 0.0 110.884 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p -112.55 175.44 5.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.62 -165.21 37.06 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.414 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 0.1 OUTLIER -106.69 29.73 6.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.774 0.321 . . . . 0.0 110.935 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -104.06 119.47 39.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -97.64 -63.28 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.27 -123.36 5.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.529 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -61.29 115.29 3.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.825 0.345 . . . . 0.0 110.829 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.5 tpp -159.63 152.35 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.673 ' HA ' HD11 ' A' ' 37' ' ' LEU . 45.5 m -107.39 145.81 32.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.82 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.41 -72.98 0.25 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.42 -26.22 0.95 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.459 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.821 ' HG3' HD11 ' A' ' 21' ' ' LEU . 7.5 tp60 -66.5 -64.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.39 -50.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.573 ' HA ' HG21 ' A' ' 62' ' ' VAL . 13.5 mt-10 -47.25 -49.46 23.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 m -60.78 -62.48 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.821 HD11 ' HG3' ' A' ' 17' ' ' GLN . 4.8 mp -46.32 -52.53 12.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.537 HD21 HD23 ' A' ' 32' ' ' LEU . 18.7 mt -59.5 -67.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.98 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.423 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 72.2 mt-30 -41.85 -43.18 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.23 -41.59 72.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -36.96 75.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.96 27.06 70.74 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -114.59 122.04 34.73 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 142.76 49.01 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.77 2.313 . . . . 0.0 112.327 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.528 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 6.3 m95 71.38 26.64 3.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.4 m -90.2 96.68 10.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.209 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.664 ' CB ' HD23 ' A' ' 107' ' ' LEU . 21.1 p90 -90.98 165.35 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.537 HD23 HD21 ' A' ' 22' ' ' LEU . 2.9 pp -167.9 138.36 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.424 HG11 ' HG ' ' A' ' 85' ' ' LEU . 36.1 t -98.03 145.22 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' HD3' HD11 ' A' ' 32' ' ' LEU . 41.9 ptt85 -157.87 115.87 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' ARG . 2.2 tt0 -36.96 155.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 p -64.72 -175.47 0.19 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.673 HD11 ' HA ' ' A' ' 14' ' ' SER . 12.9 mt -115.01 -64.64 1.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.7 m -127.13 39.71 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -122.46 141.96 36.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.625 0.726 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.8 Cg_endo -69.76 122.47 9.15 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.629 2.219 . . . . 0.0 112.345 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 34.16 60.1 0.59 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.442 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 9.4 t70 -131.59 169.96 15.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.445 ' CZ ' ' OH ' ' A' ' 74' ' ' TYR . 12.5 m-85 -141.97 173.46 11.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.9 t -136.42 136.16 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.182 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.4 tp -118.29 104.58 10.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.3 m -99.71 141.06 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.638 HG11 HG13 ' A' ' 105' ' ' VAL . 74.4 t -142.96 135.23 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.44 HD11 ' O ' ' A' ' 60' ' ' LEU . 16.9 tp -89.02 97.75 11.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.5 p -56.63 158.26 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.791 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.528 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 5.1 t70 -83.39 2.09 38.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -94.33 110.41 48.43 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.55 0.691 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 153.98 68.14 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.712 2.274 . . . . 0.0 112.289 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -60.05 -55.05 38.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -116.38 -60.45 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -148.06 -154.28 6.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -19.16 36.46 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.638 2.225 . . . . 0.0 112.305 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -91.18 -17.23 51.51 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.8 p -84.59 152.71 60.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.678 0.751 . . . . 0.0 110.792 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.423 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.81 142.0 46.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.263 . . . . 0.0 112.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.44 ' O ' HD11 ' A' ' 48' ' ' LEU . 72.4 mt -64.91 142.12 58.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -66.27 150.41 48.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.573 HG21 ' HA ' ' A' ' 19' ' ' GLU . 18.1 t -115.16 127.68 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.1 m -100.76 110.14 22.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.199 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -94.16 123.21 37.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.4 mt -131.86 112.91 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -71.26 113.4 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.5 t -82.06 115.92 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.149 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.454 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 42.7 mtm -77.39 174.55 10.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 31.7 t -141.71 114.98 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.03 82.12 5.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.14 -74.07 1.47 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -128.57 -14.63 2.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.45 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -103.39 -178.79 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.736 ' CE2' HD22 ' A' ' 85' ' ' LEU . 26.4 m-85 -125.96 150.54 47.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.8 t -156.18 154.57 31.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 76' ' ' VAL . 13.5 m -123.69 86.06 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.454 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 77.01 -50.52 3.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.59 163.01 49.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 77.9 mt -75.99 -21.18 57.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.963 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -52.54 173.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.5 p -153.06 164.78 37.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.493 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 77.8 m-85 -143.15 135.61 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 82' ' ' PHE . 4.4 m-20 -37.8 -39.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 t -174.63 -178.73 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.736 HD22 ' CE2' ' A' ' 74' ' ' TYR . 3.6 mm? -44.96 -32.64 1.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.9 m -64.42 -59.67 4.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.11 -37.57 74.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.493 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.2 tt -69.55 -64.12 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 85' ' ' LEU . 72.3 t -53.18 -59.73 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -44.61 -59.8 2.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -55.21 -21.03 12.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -93.66 -15.9 24.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -77.17 -16.21 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.479 ' HG3' HG23 ' A' ' 95' ' ' THR . 5.9 ptpt -105.98 -35.62 7.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.479 HG23 ' HG3' ' A' ' 94' ' ' LYS . 73.2 p -93.2 -54.62 3.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.09 167.74 21.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.422 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 50.5 mt -113.82 125.1 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.761 0.315 . . . . 0.0 111.157 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.609 ' CD ' ' CE2' ' A' ' 104' ' ' PHE . 4.9 tp10 -95.14 120.45 35.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -88.29 156.45 19.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -58.9 -54.71 44.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -39.93 -42.28 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 128.72 25.55 1.01 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -108.97 159.16 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 111.081 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.609 ' CE2' ' CD ' ' A' ' 98' ' ' GLU . 8.7 m-85 -124.51 103.48 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.638 HG13 HG11 ' A' ' 47' ' ' VAL . 78.1 t -73.54 139.53 19.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.509 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 19.7 m-85 -122.59 140.81 52.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.664 HD23 ' CB ' ' A' ' 31' ' ' PHE . 2.0 mp -118.95 90.45 3.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.969 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.467 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 21.5 mtm180 -86.42 -45.32 11.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -145.98 142.24 17.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.528 0.68 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.534 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 54.1 Cg_endo -69.75 -164.05 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.39 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 113' ' ' SER . 69.0 t80 -133.5 107.22 7.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.968 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.534 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 35.0 m-85 -96.3 44.29 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 35.0 p 36.44 42.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.55 -162.24 53.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.441 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 125.65 12.36 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.651 2.234 . . . . 0.0 112.389 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 69.8 m -123.35 111.0 15.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.8 t -43.8 -45.87 7.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.505 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.5 mmt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.795 0.331 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -79.09 117.73 20.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -92.77 116.89 29.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -45.49 -54.4 7.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.04 144.61 3.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m -86.04 136.56 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 111.136 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 7.5 mm -70.77 147.42 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.197 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.3 m -54.62 139.12 39.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.46 164.6 12.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.599 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 0.5 OUTLIER -93.37 -173.25 3.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.549 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 2.0 p30 -91.59 -55.77 3.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.632 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.1 OUTLIER -41.3 -52.46 7.55 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.565 0.698 . . . . 0.0 110.883 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.6 Cg_endo -69.71 147.49 63.34 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.37 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.144 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 p -69.11 121.56 16.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -67.76 89.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.36 142.3 13.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.418 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -95.91 123.83 39.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.817 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -72.5 -51.59 19.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.2 -116.5 0.42 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.479 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -116.61 29.14 8.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.783 0.325 . . . . 0.0 110.891 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -101.73 123.71 46.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.983 0.42 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -104.84 -62.12 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.47 -109.52 2.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -57.29 106.35 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.756 0.312 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.8 ttm -172.45 147.48 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.0 p -118.98 154.95 32.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -41.15 -51.44 4.3 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.536 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.38 -50.27 57.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.807 ' O ' HD12 ' A' ' 21' ' ' LEU . 16.4 tp60 -59.39 -61.77 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -39.78 -46.61 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.533 ' HA ' HG21 ' A' ' 62' ' ' VAL . 6.6 mt-10 -55.34 -46.72 76.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -60.27 -54.7 42.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 17' ' ' GLN . 5.0 mp -55.31 -49.77 71.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.983 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.782 HD21 HD23 ' A' ' 32' ' ' LEU . 38.7 mt -60.69 -61.22 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.469 ' CG ' ' HB2' ' A' ' 59' ' ' PRO . 92.8 mt-30 -49.89 -56.85 8.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.56 -44.89 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -58.19 -37.99 75.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 64.36 27.87 72.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -107.67 120.22 47.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.671 0.748 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 143.01 49.54 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.402 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.5 m95 66.62 35.79 5.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 96.7 m -99.78 98.65 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.065 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.653 ' CB ' HD23 ' A' ' 107' ' ' LEU . 24.4 p90 -92.81 163.43 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.782 HD23 HD21 ' A' ' 22' ' ' LEU . 3.4 pp -167.2 133.8 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.479 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 61.6 t -92.18 140.74 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -150.8 134.03 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -57.13 166.23 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.5 p -90.98 179.25 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.9 mt -116.66 -53.96 2.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' GLN . 9.9 m -102.0 -57.11 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' SER . 3.9 mp0 -37.12 129.49 0.77 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.714 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.8 Cg_endo -69.79 124.18 10.82 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 33.18 63.57 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.522 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -138.06 149.21 45.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 2.1 m-85 -109.81 168.55 9.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 82.3 t -138.3 134.64 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.9 tp -105.35 122.92 46.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.81 148.03 37.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.734 HG11 HG13 ' A' ' 105' ' ' VAL . 85.4 t -153.64 143.64 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.0 tp -103.79 99.27 9.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.1 p -58.8 153.3 17.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.506 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.5 OUTLIER -75.38 -4.07 37.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 37.1 mt-30 -86.99 113.78 55.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.542 0.687 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 51' ' ' GLN . 53.1 Cg_endo -69.83 147.92 63.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.649 2.233 . . . . 0.0 112.294 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -50.91 -47.13 60.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.32 -52.8 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.062 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.411 ' HA3' ' HD2' ' A' ' 56' ' ' PRO . . . -177.41 -144.33 5.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.411 ' HD2' ' HA3' ' A' ' 55' ' ' GLY . 52.9 Cg_endo -69.83 91.58 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 142.92 -35.3 1.71 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.43 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.3 p -72.12 152.88 92.66 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.597 0.713 . . . . 0.0 110.856 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.469 ' HB2' ' CG ' ' A' ' 23' ' ' GLN . 53.4 Cg_endo -69.79 118.03 5.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.296 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.6 mt -38.6 151.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -75.84 146.07 40.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.533 HG21 ' HA ' ' A' ' 19' ' ' GLU . 49.3 t -110.8 143.08 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.185 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.3 m -118.76 113.58 21.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -99.31 108.97 21.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.0 mt -110.99 108.24 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.47 ' HG3' ' CD1' ' B' ' 8' ' ' PTR . 30.9 mttp -65.53 108.08 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.7 t -79.41 113.74 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.469 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 22.6 mtm -83.32 154.18 24.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.9 t -124.3 136.77 54.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -130.68 79.44 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.53 57.23 4.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.442 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.41 -41.02 3.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -76.18 157.08 33.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.841 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 22.2 m-85 -119.22 146.89 44.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -139.21 171.86 13.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 76' ' ' VAL . 26.8 m -134.23 96.53 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.469 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 40.46 26.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -140.57 172.48 23.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.491 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.8 mp -78.55 -27.87 45.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -56.06 164.65 1.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.7 p -143.97 164.97 29.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.54 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 86.7 m-85 -143.05 145.46 32.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -48.57 -48.39 38.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.563 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 5.2 m -166.46 -177.64 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.687 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.2 mm? -48.05 -33.77 8.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 68.8 m -64.89 -58.84 5.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -58.98 -42.9 91.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.4 tt -64.37 -62.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 85' ' ' LEU . 95.8 t -51.99 -60.71 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -44.39 -60.09 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -50.97 -24.0 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.559 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.9 m-85 -93.87 -26.24 16.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -65.68 -18.29 65.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 pttt -106.95 -39.08 5.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.3 p -83.16 -56.32 3.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.212 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.24 157.58 14.67 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.559 HG13 ' CD1' ' A' ' 92' ' ' PHE . 45.7 mt -116.82 135.88 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 111.13 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -108.88 149.38 29.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -107.63 148.77 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -48.38 -49.59 34.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t -52.56 -47.27 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.72 30.59 0.25 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.422 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -103.92 157.68 16.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 111.058 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -127.22 106.08 9.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.734 HG13 HG11 ' A' ' 47' ' ' VAL . 83.3 t -82.54 132.91 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.554 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.9 m-85 -119.77 135.91 54.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.653 HD23 ' CB ' ' A' ' 31' ' ' PHE . 2.3 mp -113.5 96.98 6.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.47 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 24.0 mtm180 -92.74 -45.21 8.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.4 pm0 -146.37 143.82 19.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.417 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.7 Cg_endo -69.71 -165.07 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.361 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.455 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 94.4 t80 -135.91 113.14 10.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.417 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.8 m-85 -97.88 154.26 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.8 t -96.32 94.17 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -119.8 154.3 16.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -8.64 24.12 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.6 2.2 . . . . 0.0 112.315 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.6 t -125.0 148.25 48.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.6 m -140.89 129.25 22.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.431 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.3 tpt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.765 0.317 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.69 127.13 31.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -92.74 -48.11 6.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -102.25 -52.48 3.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.98 175.54 32.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.421 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 33.8 m -70.59 143.14 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 11.5 mm -73.71 149.81 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.47 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -46.43 173.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.792 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.0 -176.34 4.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.584 HD11 ' HB ' ' A' ' 76' ' ' VAL . 76.8 mt -108.86 -175.11 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.461 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 0.7 OUTLIER -81.28 -49.27 10.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.634 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -42.01 -51.99 9.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.877 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.5 Cg_endo -69.73 147.47 63.15 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.73 2.287 . . . . 0.0 112.298 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.224 0 C-N-CA 122.675 2.25 . . . . 0.0 112.286 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -83.6 177.98 8.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -108.04 135.64 49.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.3 64.41 0.2 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.448 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -116.77 164.01 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 m -116.75 40.0 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.27 -105.19 0.73 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.538 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.404 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -116.36 26.69 9.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.36 . . . . 0.0 110.927 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -100.46 120.12 39.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -100.96 -45.05 5.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.48 -117.22 5.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.43 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -61.51 101.22 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.5 tpp -157.56 127.28 6.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.8 p -84.28 149.04 26.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.48 -60.12 3.85 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.34 -43.17 9.83 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.796 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.7 tp60 -58.02 -64.45 0.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.763 0.316 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -36.86 -52.73 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 12.4 mt-10 -48.49 -47.83 38.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.5 m -60.24 -59.69 5.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.1 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.796 HD12 ' O ' ' A' ' 17' ' ' GLN . 4.8 mp -50.4 -47.58 56.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.1 mt -61.61 -65.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -46.47 -54.05 9.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.33 -40.99 5.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.073 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -61.85 -38.14 87.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.53 17.37 66.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.526 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -100.47 122.02 51.17 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.716 0.77 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 142.06 47.26 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.748 2.299 . . . . 0.0 112.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.555 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 8.0 m95 68.75 34.54 3.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.6 m -97.01 97.52 9.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.652 ' CB ' HD23 ' A' ' 107' ' ' LEU . 33.3 p90 -87.83 167.35 13.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.552 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -168.82 132.91 1.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.404 HG21 ' CE3' ' A' ' 8' ' ' TRP . 50.5 t -92.81 150.82 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.7 ptt85 -167.73 128.89 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -43.72 154.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 6.1 t -93.48 148.88 21.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.3 mt -103.57 -57.65 2.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 m -43.81 -61.73 1.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -104.4 130.35 23.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.621 0.724 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 139.62 40.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.44 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 82.28 -38.4 2.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 36' ' ' SER . 6.9 t0 -63.4 155.75 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 5.3 m-85 -118.26 178.05 4.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.0 t -145.96 139.2 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 tp -116.17 110.12 18.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.8 m -99.86 141.39 32.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.592 HG11 HG13 ' A' ' 105' ' ' VAL . 96.9 t -142.38 148.05 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.1 tp -103.66 97.48 7.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.8 p -59.2 150.69 24.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.804 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 2.1 t70 -74.87 0.75 14.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -89.87 114.29 60.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.717 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.52 60.42 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.653 2.236 . . . . 0.0 112.369 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -50.82 -57.42 8.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -109.32 -61.2 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -163.83 -148.39 5.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.63 84.77 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.388 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.38 -28.84 0.87 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 p -75.11 155.23 86.4 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 60' ' ' LEU . 53.6 Cg_endo -69.79 115.73 4.23 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' PRO . 52.2 mt -36.24 147.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -72.97 151.49 41.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.4 t -115.24 134.46 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.48 HG21 HG21 ' A' ' 105' ' ' VAL . 57.8 m -106.88 106.76 17.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.41 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 82.2 m-70 -93.42 114.74 27.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 21.9 mt -125.73 131.73 71.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' B' ' 8' ' ' PTR . 6.4 mtmp? -79.01 141.59 37.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.9 t -113.34 108.64 26.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.438 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 41.1 mtm -75.27 160.76 29.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.1 t -128.51 122.75 31.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -108.33 92.2 3.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 50.95 62.12 5.59 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.21 -37.56 3.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -78.18 173.47 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.35 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.646 ' CE2' HD22 ' A' ' 85' ' ' LEU . 30.2 m-85 -134.26 150.91 51.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.057 0.456 . . . . 0.0 110.883 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.9 t -154.82 166.15 34.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 76' ' ' VAL . 16.6 m -129.92 87.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.438 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.09 -61.0 2.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.74 174.2 2.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.449 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 mp -84.76 -14.48 48.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.72 0.295 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -53.48 172.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.1 p -156.96 152.71 27.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.15 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 67.0 m-85 -130.72 154.99 47.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -55.78 -45.99 78.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.415 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 26.5 p -165.79 -175.91 3.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.679 ' O ' HG23 ' A' ' 89' ' ' VAL . 2.9 mm? -50.86 -33.71 25.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.5 m -65.58 -56.16 13.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.15 -39.36 92.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.498 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 7.9 tt -66.61 -59.0 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 85' ' ' LEU . 73.1 t -57.4 -57.97 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -44.65 -54.92 5.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -56.11 -24.03 37.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -93.73 -18.85 21.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -74.45 -15.56 60.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.427 ' HG3' HG23 ' A' ' 95' ' ' THR . 3.4 ptmt -106.71 -36.43 6.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.427 HG23 ' HG3' ' A' ' 94' ' ' LYS . 81.3 p -91.56 -64.75 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 118.93 157.68 10.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.419 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 41.0 mt -103.16 136.75 34.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.772 0.32 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 55.6 tt0 -108.35 117.32 33.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.682 ' OE1' HD12 ' B' ' 11' ' ' LEU . 5.3 mm-40 -87.27 154.23 20.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' SER . . . -56.42 -57.42 12.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' ALA . 3.7 m -35.45 -43.94 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.32 23.79 1.09 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -107.85 162.27 14.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 111.077 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.0 m-85 -128.8 107.25 9.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.592 HG13 HG11 ' A' ' 47' ' ' VAL . 55.4 t -79.18 140.25 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.555 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 18.2 m-85 -122.41 143.57 49.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.652 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -122.67 95.11 4.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.417 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 41.7 mtp180 -90.99 -40.41 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -150.68 143.25 16.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.71 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.464 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.3 Cg_endo -69.76 -165.22 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 0.0 112.281 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 86.6 t80 -130.87 115.4 16.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.968 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.464 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.4 m-85 -99.61 137.53 37.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.5 m -110.24 -58.09 2.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 153.42 171.08 20.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.395 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -29.77 23.63 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.73 2.287 . . . . 0.0 112.36 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.6 p -82.24 176.68 9.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 p -140.37 122.41 15.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.541 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.778 0.323 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -149.78 128.81 12.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -140.82 146.7 37.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -115.39 173.83 6.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.12 162.0 8.11 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 m -92.39 146.93 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 11.6 mm -71.71 149.24 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.441 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.431 ' CB ' ' OE2' ' A' ' 99' ' ' GLU . 1.9 m -70.78 108.51 4.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.1 172.12 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.682 HD12 ' OE1' ' A' ' 99' ' ' GLU . 8.6 mp -101.76 -172.82 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.557 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 2.0 p30 -91.07 -55.98 3.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.637 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -41.55 -52.32 8.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.59 0.71 . . . . 0.0 110.93 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.4 Cg_endo -69.85 162.74 40.95 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.317 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.373 179.883 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -121.47 121.03 36.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -55.69 97.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.814 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.82 -142.24 17.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 t -54.97 129.73 38.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.906 0.384 . . . . 0.0 110.804 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -79.03 157.16 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.43 -140.18 4.53 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.43 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -107.37 28.71 7.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.754 0.311 . . . . 0.0 110.91 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -102.52 113.26 26.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -89.06 -56.4 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.89 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.14 -112.16 3.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -77.28 126.07 30.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.749 0.309 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.524 ' SD ' ' HB2' ' A' ' 18' ' ' ALA . 24.3 ttm -174.26 138.64 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.3 t -76.01 139.45 41.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.0 -58.06 4.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.541 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.24 -28.5 50.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.544 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.832 ' HG2' HD11 ' A' ' 21' ' ' LEU . 12.2 tt0 -61.83 -64.28 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.524 ' HB2' ' SD ' ' A' ' 13' ' ' MET . . . -35.97 -51.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.532 ' HA ' HG21 ' A' ' 62' ' ' VAL . 16.3 mt-10 -45.65 -48.66 14.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.6 m -61.11 -66.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.832 HD11 ' HG2' ' A' ' 17' ' ' GLN . 4.6 mp -41.9 -44.18 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.984 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.629 HD21 HD23 ' A' ' 32' ' ' LEU . 32.1 mt -67.25 -60.09 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.467 ' CG ' ' HB2' ' A' ' 59' ' ' PRO . 98.3 mt-30 -50.33 -59.05 4.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.53 -39.23 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -61.21 -43.98 98.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.85 6.42 72.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.451 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.89 120.4 69.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 0.0 110.771 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 143.78 51.52 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.475 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 9.2 m95 68.51 31.28 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.437 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 88.2 m -92.04 96.87 10.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.658 ' CB ' HD23 ' A' ' 107' ' ' LEU . 17.3 p90 -90.1 159.03 17.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.629 HD23 HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -161.95 128.46 3.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.43 HG21 ' CE3' ' A' ' 8' ' ' TRP . 5.3 t -89.68 145.94 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -162.6 120.94 2.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -46.57 153.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 t -59.8 -176.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 mt -113.23 -43.71 3.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.9 p -115.2 -19.07 10.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.434 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 3.3 tp-100 -89.5 108.39 24.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.72 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 39' ' ' GLN . 54.4 Cg_endo -69.72 110.63 2.59 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.538 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 105.22 -55.05 0.58 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.444 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -43.41 164.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.756 0.313 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.538 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 59.3 m-85 -134.93 -178.38 5.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.467 ' CG2' ' HE2' ' B' ' 8' ' ' PTR . 40.2 t -153.93 148.48 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.768 HD21 HD21 ' A' ' 107' ' ' LEU . 24.4 tp -127.77 99.74 5.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 m -90.19 133.72 34.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.632 HG22 ' CB ' ' A' ' 31' ' ' PHE . 98.4 t -134.77 142.28 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.4 tp -97.22 96.52 8.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.9 p -53.61 156.26 2.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.815 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.472 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 2.5 t70 -78.7 1.6 22.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -97.88 126.05 42.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.624 0.726 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 158.59 56.45 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.62 2.213 . . . . 0.0 112.358 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -61.53 -48.26 81.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.42 -51.65 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -171.39 -149.9 6.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 90.85 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.31 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.24 -29.94 1.62 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.8 p -78.38 152.95 79.03 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.676 0.751 . . . . 0.0 110.844 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.467 ' HB2' ' CG ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.81 120.43 7.21 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.292 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 59' ' ' PRO . 29.0 mt -35.48 147.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -71.38 148.49 46.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.532 HG21 ' HA ' ' A' ' 19' ' ' GLU . 45.2 t -112.43 135.97 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 98.7 m -112.64 116.04 29.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.111 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -101.21 105.19 16.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.781 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.491 HD13 HD13 ' A' ' 97' ' ' ILE . 23.5 mt -103.37 131.25 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -79.24 124.77 28.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.8 t -105.08 92.78 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.473 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 43.9 mtm -62.82 169.26 3.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.6 t -136.6 128.85 29.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -122.43 83.02 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.98 54.84 22.41 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.52 -28.86 7.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -75.4 175.67 8.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.727 ' CE2' HD22 ' A' ' 85' ' ' LEU . 41.2 m-85 -143.92 143.63 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.4 t -152.54 162.54 41.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.151 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 76' ' ' VAL . 33.7 m -127.59 86.51 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.026 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.473 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.84 -48.67 2.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.539 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.21 164.5 52.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.46 -25.06 57.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.403 ' C ' HG23 ' A' ' 81' ' ' THR . 8.3 mt-10 -46.18 170.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.403 HG23 ' C ' ' A' ' 80' ' ' GLU . 67.0 p -157.65 159.63 37.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.511 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 70.7 m-85 -137.57 143.81 41.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -46.44 -35.09 5.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.473 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 2.8 m -173.61 173.28 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.727 HD22 ' CE2' ' A' ' 74' ' ' TYR . 3.1 mm? -41.93 -62.88 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.1 m -40.8 -47.39 2.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -67.39 -39.62 85.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.511 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.3 tt -69.4 -65.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.498 HG11 ' CE2' ' A' ' 31' ' ' PHE . 56.5 t -45.88 -58.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -43.57 -61.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -52.36 -23.56 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.799 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -93.74 -18.42 22.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -71.89 -20.86 61.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.457 ' HG3' HG23 ' A' ' 95' ' ' THR . 9.5 pttp -106.27 -40.91 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.457 HG23 ' HG3' ' A' ' 94' ' ' LYS . 52.7 p -82.89 -47.56 11.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.87 165.32 35.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.962 ' CG2' HD11 ' B' ' 11' ' ' LEU . 14.1 mt -109.92 142.73 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.113 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.47 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 23.5 tt0 -116.62 90.61 3.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -55.91 156.89 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.843 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -56.17 -60.15 3.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' ALA . 2.1 m -36.25 -37.83 0.13 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 123.18 26.28 1.7 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -103.9 149.46 25.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 8.8 m-85 -115.14 104.92 12.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.505 ' CG1' HG11 ' A' ' 47' ' ' VAL . 73.1 t -83.14 132.01 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.475 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 20.0 m-85 -116.79 138.86 51.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.768 HD21 HD21 ' A' ' 45' ' ' LEU . 1.5 mp -115.24 96.77 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.971 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.447 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 11.4 mtm180 -91.62 -48.45 6.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -142.57 143.61 27.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.41 ' CB ' ' HB3' ' A' ' 8' ' ' TRP . 54.6 Cg_endo -69.69 -165.1 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.691 2.261 . . . . 0.0 112.403 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.437 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 77.5 t80 -140.56 120.12 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -103.58 146.87 27.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.9 t -120.32 171.23 8.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.35 -93.25 0.49 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -17.07 37.79 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.615 2.21 . . . . 0.0 112.384 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 85.3 p -64.62 109.21 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.2 t 50.58 51.95 15.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.538 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.713 0.292 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.51 157.51 37.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -103.86 135.08 46.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -80.87 -57.45 3.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 140.21 -172.91 23.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.516 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 13.7 m -102.03 154.87 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.749 0.309 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 12.0 mm -71.53 151.55 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.467 ' HE2' ' CG2' ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 54.2 m -82.76 114.33 21.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -178.26 1.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.962 HD11 ' CG2' ' A' ' 97' ' ' ILE . 3.7 mm? -103.67 -174.05 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.519 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 1.9 p30 -78.41 -54.82 5.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.654 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -43.78 -51.49 16.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.741 . . . . 0.0 110.952 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.654 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.3 Cg_endo -69.8 163.71 37.29 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.639 2.226 . . . . 0.0 112.325 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.203 0 C-N-CA 122.697 2.265 . . . . 0.0 112.356 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.209 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 p -85.65 163.21 18.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 m -150.79 112.54 4.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.808 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.42 -157.08 29.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -61.6 104.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.839 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.3 p -170.95 148.89 2.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.88 -80.89 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.472 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -119.75 28.3 8.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 110.885 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -104.83 123.33 47.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -98.12 -69.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' MET . . . 117.97 -119.04 4.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -53.34 84.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.772 0.32 . . . . 0.0 110.833 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' GLY . 14.9 tpp -140.63 143.52 35.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.537 ' HA ' HD11 ' A' ' 37' ' ' LEU . 2.6 m -109.93 159.26 17.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.88 -74.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.61 -33.68 0.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.827 ' HG2' HD11 ' A' ' 21' ' ' LEU . 11.7 tt0 -66.61 -65.31 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.339 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -35.07 -49.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -54.45 -48.69 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' GLN . 81.5 m -56.92 -52.7 64.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.827 HD11 ' HG2' ' A' ' 17' ' ' GLN . 5.0 mp -56.55 -58.89 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.524 ' O ' HD22 ' A' ' 48' ' ' LEU . 48.8 mt -54.23 -61.55 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -48.92 -51.61 29.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.15 -37.86 55.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -57.99 -42.9 86.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.7 6.82 67.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.545 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -95.51 120.49 63.56 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.687 0.756 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 142.4 47.95 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.473 ' CD1' ' HD2' ' A' ' 108' ' ' ARG . 7.6 m95 71.35 32.02 2.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.1 m -92.99 101.0 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.717 ' CB ' HD23 ' A' ' 107' ' ' LEU . 22.9 p90 -95.07 160.57 14.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.9 pp -167.1 142.58 4.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.472 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 36.8 t -96.34 135.88 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.0 ptt85 -144.42 111.46 5.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -47.7 122.1 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 t -58.27 151.42 19.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.537 HD11 ' HA ' ' A' ' 14' ' ' SER . 15.9 mt -92.68 -46.86 7.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.2 t -56.78 -64.96 0.7 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.441 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 3.2 mp0 -94.55 105.45 18.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.722 0.773 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 39' ' ' GLN . 54.1 Cg_endo -69.82 3.45 2.79 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.617 2.212 . . . . 0.0 112.35 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -114.95 -19.86 5.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.483 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.23 174.63 5.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.364 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.438 ' CE1' ' CZ ' ' A' ' 74' ' ' TYR . 5.8 m-85 -130.07 -178.05 4.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.3 t -148.26 149.16 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 tp -127.07 116.87 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 m -106.63 148.19 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.631 HG11 HG13 ' A' ' 105' ' ' VAL . 98.9 t -148.46 134.6 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.524 HD22 ' O ' ' A' ' 22' ' ' LEU . 20.4 tp -89.97 97.29 11.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.1 p -59.34 157.81 10.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -80.74 0.96 32.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 37.6 mt-30 -90.38 111.48 47.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.711 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 51' ' ' GLN . 53.2 Cg_endo -69.85 151.19 68.47 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.73 2.287 . . . . 0.0 112.261 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -62.51 -56.24 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -134.65 90.55 2.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.36 -165.71 2.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.428 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 133.64 26.0 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.621 2.214 . . . . 0.0 112.343 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.21 -43.77 1.62 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 p -64.78 153.34 88.21 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.607 0.718 . . . . 0.0 110.832 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 120.85 7.57 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.9 mt -41.61 148.16 0.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -70.26 150.28 46.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.1 t -115.56 126.58 73.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.096 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.427 HG21 HG21 ' A' ' 105' ' ' VAL . 96.6 m -100.83 106.46 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -95.54 113.39 25.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.5 mt -118.68 125.03 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.155 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -73.56 133.02 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.3 t -101.57 101.02 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.472 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 28.6 mtm -65.43 161.42 19.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 40.3 t -129.34 120.93 26.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -119.13 102.45 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.11 56.66 13.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.77 -34.42 2.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -76.21 166.48 23.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.486 ' CD2' HD22 ' A' ' 85' ' ' LEU . 24.9 m-85 -126.09 150.59 48.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.955 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.3 t -156.86 163.84 38.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.186 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 76' ' ' VAL . 16.3 m -126.87 87.23 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.071 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.472 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 74.92 -58.68 2.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.05 167.89 11.0 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.0 mt -77.3 -23.48 51.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.721 0.296 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -46.5 170.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 79.3 p -155.21 157.4 37.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.49 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 60.1 m-85 -135.81 155.67 49.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.53 -46.49 77.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.8 p -169.22 178.22 4.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 89' ' ' VAL . 3.5 mm? -44.46 -27.96 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.402 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 54.3 m -71.62 -49.97 35.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -69.47 -38.42 77.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.49 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.3 tt -68.62 -61.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 85' ' ' LEU . 99.5 t -53.23 -58.19 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 86' ' ' THR . 49.7 mm-40 -44.24 -57.73 3.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -55.88 -21.91 22.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.475 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.2 m-85 -93.81 -15.96 24.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.504 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 37.7 mtmt -75.75 -16.16 60.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.8 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.476 ' HG3' HG23 ' A' ' 95' ' ' THR . 7.0 pttp -106.26 -37.02 6.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.476 HG23 ' HG3' ' A' ' 94' ' ' LYS . 72.7 p -90.0 -68.08 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 113.76 150.16 10.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.475 HG13 ' CD1' ' A' ' 92' ' ' PHE . 24.9 mt -94.9 140.86 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.076 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.5 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 31.2 tt0 -109.04 117.81 35.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.509 ' OE2' HG23 ' A' ' 105' ' ' VAL . 2.3 mp0 -85.92 142.67 28.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' SER . . . -38.82 -62.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' ALA . 91.9 p -35.77 -37.68 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.89 21.17 2.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.41 156.99 16.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 111.051 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.4 m-85 -126.34 106.93 9.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.631 HG13 HG11 ' A' ' 47' ' ' VAL . 75.5 t -76.77 134.54 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.141 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.447 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 22.4 m-85 -118.49 133.86 55.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.717 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.8 mp -112.93 94.12 4.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.834 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.473 ' HD2' ' CD1' ' A' ' 29' ' ' TRP . 12.9 mtp-105 -91.23 -46.91 7.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.7 pm0 -140.44 141.53 26.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.512 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.0 Cg_endo -69.83 -163.77 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.309 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.538 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 89.7 t80 -135.5 112.76 10.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.512 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 6.8 m-85 -101.77 105.85 16.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.4 t -48.88 -58.51 4.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 141.81 145.82 4.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.74 89.54 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.7 2.266 . . . . 0.0 112.315 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -143.15 140.74 30.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.0 m -113.0 59.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.496 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ptp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.779 0.323 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -129.8 122.12 28.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' B' ' 4' ' ' GLN . 13.0 p30 -109.21 -52.33 2.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.445 ' N ' ' OD1' ' B' ' 3' ' ' ASN . 0.0 OUTLIER -39.07 -45.12 1.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.34 178.1 45.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.53 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 m -105.37 140.09 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.481 HG22 ' N ' ' B' ' 8' ' ' PTR . 13.1 mm -65.99 156.77 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.481 ' N ' HG22 ' B' ' 7' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -75.55 107.77 7.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.15 178.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.496 HD21 ' HB ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -107.63 -174.89 2.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.517 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 1.2 p30 -86.34 -54.17 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.648 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -40.29 -51.67 6.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.92 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.5 Cg_endo -69.78 154.75 67.3 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.722 2.281 . . . . 0.0 112.377 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.157 0 C-N-CA 122.717 2.278 . . . . 0.0 112.339 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -80.86 133.15 35.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 m -89.15 134.37 34.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.804 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.99 -83.03 1.2 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 m -70.85 126.58 29.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.923 0.392 . . . . 0.0 110.835 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.2 m -90.65 89.75 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.799 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.52 -141.72 12.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.433 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.567 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -120.3 25.78 9.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.968 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -97.28 116.28 29.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -114.1 74.09 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.39 166.41 34.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 62.56 33.2 16.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.7 0.286 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.507 ' CE ' HD22 ' A' ' 21' ' ' LEU . 37.4 ttm -118.56 155.77 30.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.461 ' N ' ' HG2' ' A' ' 13' ' ' MET . 58.8 m -108.79 158.73 17.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.72 -70.38 0.93 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.21 -24.99 1.69 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.846 ' HG3' HD11 ' A' ' 21' ' ' LEU . 20.4 tp60 -68.39 -62.55 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 110.942 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -36.53 -46.63 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.491 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 25.9 mt-10 -50.31 -46.96 55.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 63.1 m -63.05 -60.95 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.223 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.846 HD11 ' HG3' ' A' ' 17' ' ' GLN . 4.5 mp -48.86 -45.37 40.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.573 ' HG ' HD23 ' A' ' 32' ' ' LEU . 19.7 mt -66.01 -61.8 1.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.446 ' CG ' ' HB2' ' A' ' 59' ' ' PRO . 75.3 mt-30 -48.51 -57.96 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.0 -41.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.06 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -60.49 -41.77 94.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.11 8.97 66.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -91.08 120.29 68.62 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.707 0.765 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 142.02 46.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.5 m95 70.97 30.6 2.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.435 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 94.6 m -93.55 100.89 13.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.821 ' CB ' HD23 ' A' ' 107' ' ' LEU . 25.5 p90 -93.01 157.14 16.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.607 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -161.06 135.32 7.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.567 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 42.7 t -93.0 150.35 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' NH2' HG11 ' A' ' 44' ' ' VAL . 50.2 ptt85 -162.31 142.69 10.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -58.98 161.27 5.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.537 ' HB3' HG23 ' A' ' 44' ' ' VAL . 8.3 p -110.19 83.97 1.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 38' ' ' SER . 11.7 mt -38.93 -64.45 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 37' ' ' LEU . 2.1 m -36.2 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -87.88 109.03 24.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.601 0.715 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 112.71 3.15 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.382 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.545 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 122.19 -48.78 0.93 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.423 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.525 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 53.8 m-20 -67.54 -179.71 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 1.3 m-85 -139.45 172.73 12.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 36' ' ' SER . 75.8 t -138.95 147.72 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.7 tp -122.12 121.55 37.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.0 m -112.45 146.0 39.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.669 HG11 ' CG1' ' A' ' 105' ' ' VAL . 87.2 t -148.97 133.88 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.434 ' CD1' HG22 ' A' ' 62' ' ' VAL . 17.9 tp -90.07 97.39 11.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.8 p -60.32 155.83 17.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 4.3 t70 -76.62 1.13 17.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -89.28 116.06 65.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.585 0.707 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 142.89 49.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.254 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -49.54 -50.23 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.85 -50.88 2.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.57 -146.97 6.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 91.4 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.689 2.259 . . . . 0.0 112.393 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 144.58 -32.25 1.74 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.535 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 p -77.03 153.18 82.64 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.653 0.739 . . . . 0.0 110.913 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.446 ' HB2' ' CG ' ' A' ' 23' ' ' GLN . 54.4 Cg_endo -69.7 118.55 5.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 59' ' ' PRO . 24.7 mt -34.67 151.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.83 145.52 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.434 HG22 ' CD1' ' A' ' 48' ' ' LEU . 34.7 t -111.32 125.4 68.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.012 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.441 HG23 ' HB2' ' B' ' 9' ' ' SER . 71.3 m -103.7 119.01 38.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.491 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 40.8 m-70 -105.62 114.61 28.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.503 HD13 HD13 ' A' ' 97' ' ' ILE . 14.5 mt -115.85 118.7 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.53 ' HG3' ' CD2' ' B' ' 8' ' ' PTR . 34.2 mtmm -63.64 144.21 57.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.2 t -116.58 107.62 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.049 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.461 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 36.2 mtm -74.98 153.54 38.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 27.3 t -137.87 122.34 18.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.475 ' HG3' ' CG ' ' A' ' 73' ' ' ARG . 2.4 pt-20 -115.65 99.75 7.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.45 -50.53 2.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -168.92 -29.68 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.445 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.475 ' CG ' ' HG3' ' A' ' 70' ' ' GLU . 14.1 ptt180 -81.79 149.59 28.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.665 ' CE2' HD22 ' A' ' 85' ' ' LEU . 29.4 m-85 -106.8 151.26 25.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.1 t -159.91 153.0 21.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 76' ' ' VAL . 17.6 m -118.06 85.97 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.461 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.89 -63.66 2.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.436 ' N ' HD12 ' B' ' 13' ' ' LEU . . . -56.15 149.25 27.17 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.428 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.8 mt -62.78 -14.41 44.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 81' ' ' THR . 7.9 mt-10 -52.46 -175.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 80' ' ' GLU . 47.1 p -162.33 174.01 13.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.226 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.553 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 59.3 m-85 -157.54 134.19 9.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 82' ' ' PHE . 6.2 m-20 -36.21 -52.19 0.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.433 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 1.9 m -164.01 -176.22 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.665 HD22 ' CE2' ' A' ' 74' ' ' TYR . 3.3 mm? -47.86 -34.79 9.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.2 m -63.44 -58.25 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.84 -38.6 86.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.553 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -66.36 -61.64 1.9 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 85' ' ' LEU . 78.5 t -54.86 -55.95 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -45.24 -54.85 6.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.43 ' HA ' ' HZ2' ' A' ' 94' ' ' LYS . 13.2 t60 -59.23 -22.32 60.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.46 ' CD1' HG13 ' A' ' 97' ' ' ILE . 2.3 m-85 -93.75 -11.17 32.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -80.33 -16.46 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.524 ' HG3' HG23 ' A' ' 95' ' ' THR . 10.7 pttm -106.63 -38.67 6.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.524 HG23 ' HG3' ' A' ' 94' ' ' LYS . 72.8 p -88.76 -67.05 0.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.43 154.23 12.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.503 HD13 HD13 ' A' ' 65' ' ' ILE . 35.0 mt -98.7 132.98 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 111.093 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 38.9 tt0 -103.98 110.16 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -77.98 142.05 38.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -41.37 -58.61 1.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.072 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.1 m -38.77 -42.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 127.43 28.24 0.92 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -104.68 152.28 22.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.756 0.312 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.9 m-85 -125.71 104.49 8.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.669 ' CG1' HG11 ' A' ' 47' ' ' VAL . 92.4 t -75.76 133.87 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.569 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 19.7 m-85 -120.22 133.84 55.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.821 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.7 mp -112.46 96.41 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.436 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 30.9 mtp85 -90.55 -42.94 10.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 -146.98 142.42 17.03 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.578 0.704 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -164.14 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.639 2.226 . . . . 0.0 112.312 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.435 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 87.9 t80 -140.06 139.83 35.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.991 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -125.72 169.91 12.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.9 t -139.67 137.85 35.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 171.02 -177.03 44.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 126.09 12.88 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 t -139.35 146.68 40.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 81.0 p -149.48 118.94 6.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.179 -0.79 . . . . 0.0 112.538 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.6 tpp . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.734 0.302 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -154.27 175.55 13.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -157.69 140.67 15.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -92.66 90.3 7.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.63 -135.61 12.99 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.5 m -141.07 135.85 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.5 mm -61.62 148.89 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.53 ' CD2' ' HG3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.441 ' HB2' HG23 ' A' ' 63' ' ' THR . 1.9 m -64.67 110.89 2.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.22 170.27 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.658 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 1.8 mp -96.6 179.89 4.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.82 ' ND2' HD23 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -92.15 -29.72 16.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.82 HD23 ' ND2' ' B' ' 12' ' ' ASN . 0.2 OUTLIER -41.92 -53.35 8.22 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.657 0.741 . . . . 0.0 110.927 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.623 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.6 Cg_endo -69.73 169.81 18.01 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.708 2.272 . . . . 0.0 112.386 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 C-N-CA 122.714 2.276 . . . . 0.0 112.418 179.913 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -57.52 174.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 p -55.52 139.65 43.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.82 127.5 2.33 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -114.04 144.35 43.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.392 . . . . 0.0 110.828 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -106.41 153.62 21.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.936 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.79 -148.23 23.84 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.551 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.44 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -111.14 21.69 16.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.801 0.334 . . . . 0.0 110.949 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.408 ' OH ' ' CG ' ' A' ' 35' ' ' GLU . 6.1 t80 -99.31 113.87 26.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -94.43 -59.18 2.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.827 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.08 -100.98 1.13 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.428 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -69.3 101.13 1.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.757 0.313 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 39.0 ttm -165.92 158.37 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.446 ' HB3' HD11 ' A' ' 37' ' ' LEU . 60.0 p -125.72 179.77 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.38 -60.56 6.94 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.6 -42.39 27.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.752 ' HG3' HD11 ' A' ' 21' ' ' LEU . 4.8 tp60 -60.64 -62.42 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.712 0.291 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -38.3 -43.99 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.485 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 13.1 mt-10 -57.22 -45.89 83.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.4 m -63.7 -46.52 85.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.752 HD11 ' HG3' ' A' ' 17' ' ' GLN . 5.3 mp -63.18 -42.67 99.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.536 HD21 HD23 ' A' ' 32' ' ' LEU . 68.3 mt -71.64 -62.72 1.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.44 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 90.1 mt-30 -47.65 -45.34 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.991 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.3 90.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -54.33 -44.33 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.74 24.47 76.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.88 121.1 42.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 110.929 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 142.0 47.17 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.6 m95 68.54 33.29 4.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -95.31 99.73 11.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.473 ' CB ' HG22 ' A' ' 47' ' ' VAL . 20.5 p90 -93.48 160.8 14.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.813 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.568 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -164.92 135.58 3.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 t -104.55 151.7 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.554 HH22 ' N ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -152.74 -177.63 6.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' CG ' ' OH ' ' A' ' 9' ' ' TYR . 35.3 mt-10 -107.81 131.28 54.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 m -58.67 -178.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.446 HD11 ' HB3' ' A' ' 14' ' ' SER . 15.3 mt -124.8 113.76 18.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 t 59.04 47.19 12.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -127.33 137.96 31.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.614 0.721 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 41' ' ' GLY . 53.6 Cg_endo -69.86 106.23 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.697 2.265 . . . . 0.0 112.26 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' PRO . . . 36.1 65.48 0.49 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -142.82 126.12 16.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.965 0.412 . . . . 0.0 110.814 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 2.2 m-85 -108.42 178.58 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.5 t -146.28 148.79 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.432 HD21 HD21 ' A' ' 107' ' ' LEU . 47.4 tp -125.16 139.81 53.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.554 ' N ' HH22 ' A' ' 34' ' ' ARG . 68.3 m -126.32 149.23 49.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.615 HG11 ' CG1' ' A' ' 105' ' ' VAL . 66.1 t -150.37 140.4 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 60' ' ' LEU . 17.5 tp -99.63 98.06 8.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.6 p -59.71 159.03 9.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.454 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 3.7 t70 -81.39 2.41 28.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.409 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 35.1 mt-30 -92.57 108.87 34.71 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 51' ' ' GLN . 53.8 Cg_endo -69.67 148.51 65.8 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.402 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -52.88 -57.91 8.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.7 -74.87 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -143.39 -154.39 6.12 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 83.44 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.6 2.2 . . . . 0.0 112.351 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.36 -32.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.4 p -71.33 154.4 93.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.683 0.754 . . . . 0.0 110.877 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.44 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 54.1 Cg_endo -69.73 114.54 3.73 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.465 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 62.6 mt -36.71 149.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -70.38 145.81 50.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.472 HG11 ' CE1' ' A' ' 64' ' ' HIS . 65.4 t -114.48 132.33 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.599 HG23 ' HB2' ' B' ' 9' ' ' SER . 16.7 m -108.42 107.28 17.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.485 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 73.1 m-70 -93.42 114.91 27.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.3 mt -114.7 116.24 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -71.62 110.42 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.0 t -80.82 121.23 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.459 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 42.1 mtm -89.1 165.8 14.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.6 t -127.97 128.24 44.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.804 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -119.25 80.43 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.33 53.1 48.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 99.72 -50.09 1.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -68.41 177.29 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.886 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.614 ' CE2' HD22 ' A' ' 85' ' ' LEU . 28.6 m-85 -136.57 146.08 45.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 t -146.17 153.89 41.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.161 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 76' ' ' VAL . 33.2 m -121.63 86.15 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.459 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.39 -49.67 2.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.551 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.06 163.66 50.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.2 mt -76.68 -19.81 57.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.433 ' O ' ' CG2' ' A' ' 81' ' ' THR . 5.9 mm-40 -53.2 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.433 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 34.2 p -158.51 165.26 34.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.552 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 63.9 m-85 -144.17 137.5 27.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 82' ' ' PHE . 11.2 m-20 -37.91 -53.49 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.556 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 2.3 m -161.11 -176.33 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.614 HD22 ' CE2' ' A' ' 74' ' ' TYR . 4.3 mm? -47.99 -36.68 13.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.9 m -61.6 -61.64 2.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -55.84 -40.14 72.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.552 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -65.77 -65.41 0.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 85' ' ' LEU . 72.3 t -51.31 -59.57 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -44.09 -59.29 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -53.28 -21.88 6.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -93.73 -26.31 17.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.425 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 30.5 mtmt -67.24 -15.51 63.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.92 -45.86 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.2 p -77.66 -54.49 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.88 156.19 19.16 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.505 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.515 ' CG2' HD21 ' B' ' 11' ' ' LEU . 61.3 mt -108.32 133.76 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 111.09 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 33.9 tt0 -105.76 138.25 42.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -92.25 145.82 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -40.08 -58.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.059 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 m -54.07 -66.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 178.99 -35.9 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.62 151.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.348 . . . . 0.0 111.086 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 9.7 m-85 -127.64 124.57 38.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.615 ' CG1' HG11 ' A' ' 47' ' ' VAL . 94.9 t -92.6 134.19 31.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.567 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 23.6 m-85 -120.51 126.13 49.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.432 HD21 HD21 ' A' ' 45' ' ' LEU . 1.3 mp -102.62 78.12 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.488 ' HG3' ' CD1' ' A' ' 29' ' ' TRP . 1.8 mmp_? -75.24 -57.21 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -134.01 141.67 40.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.56 0.695 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.453 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.83 -164.61 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.392 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -138.34 110.69 7.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.453 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.9 m-85 -95.69 129.37 42.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.6 p -82.88 -16.59 46.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.41 127.85 4.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 143.28 50.03 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.5 p -111.66 -60.2 1.88 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.797 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 p -66.88 117.04 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.455 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.9 tmm? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.703 0.287 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -71.17 87.67 0.8 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -90.3 95.55 10.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' B' ' 5' ' ' GLY . 5.5 tp-100 -51.65 154.76 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' B' ' 4' ' ' GLN . . . -130.27 88.47 0.3 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 16.6 m -90.21 138.18 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.098 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 mm -69.93 142.64 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.599 ' HB2' HG23 ' A' ' 63' ' ' THR . 53.7 m -50.17 173.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.91 -175.06 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.515 HD21 ' CG2' ' A' ' 97' ' ' ILE . 87.8 mt -115.43 -179.06 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.48 -44.9 18.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.64 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -45.76 -51.66 28.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.598 0.713 . . . . 0.0 110.936 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.6 Cg_endo -69.71 131.95 22.39 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.725 2.283 . . . . 0.0 112.316 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.306 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t 54.63 41.57 31.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.821 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -109.84 160.01 16.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.25 62.93 5.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -66.19 152.14 45.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.1 m -140.99 130.13 23.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.865 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.05 -105.84 0.65 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.557 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.416 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -106.82 21.41 17.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.835 0.35 . . . . 0.0 110.92 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -98.14 110.83 23.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -86.46 -62.35 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.68 -128.07 7.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 6.0 p80 -54.49 107.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.686 0.279 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.9 ttp -168.55 134.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.538 ' HA ' HD11 ' A' ' 37' ' ' LEU . 10.8 m -89.28 175.64 7.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 17' ' ' GLN . . . -65.94 -67.9 1.85 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.4 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.95 -28.11 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.688 ' HG3' HD11 ' A' ' 21' ' ' LEU . 6.2 tp60 -72.17 -63.88 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' HB2' ' HE ' ' A' ' 34' ' ' ARG . . . -36.16 -46.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 23.7 mt-10 -52.58 -47.26 66.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 65.7 m -63.09 -58.59 6.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.738 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.1 mp -50.3 -40.94 49.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.5 mt -74.52 -68.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -41.85 -42.94 2.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.45 -44.13 76.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -55.24 -45.04 76.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.23 13.72 82.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.0 122.05 53.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.662 0.744 . . . . 0.0 110.837 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 54.0 Cg_endo -69.79 141.63 45.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.378 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.583 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 7.9 m95 69.24 36.87 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 81.7 m -97.13 103.16 15.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.702 ' CB ' HD23 ' A' ' 107' ' ' LEU . 23.7 p90 -94.27 156.83 16.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.649 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.1 pp -160.1 139.85 11.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.416 HG21 ' CE3' ' A' ' 8' ' ' TRP . 24.9 t -101.2 143.28 14.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.105 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.472 ' HE ' ' HB2' ' A' ' 18' ' ' ALA . 25.2 ptt85 -157.74 146.19 19.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.798 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -61.51 172.82 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -102.61 -174.83 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 14' ' ' SER . 14.7 mt -122.4 -62.93 1.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.6 t -75.25 -70.45 0.42 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -59.88 115.07 11.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 125.63 12.32 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.94 -51.6 4.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.469 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -43.82 139.83 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 5.5 m-85 -107.7 171.94 7.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.4 t -133.86 135.21 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.4 tp -115.38 108.85 17.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -103.61 139.22 39.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.576 HG11 HG13 ' A' ' 105' ' ' VAL . 96.0 t -141.19 144.11 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.446 ' CD1' HG22 ' A' ' 62' ' ' VAL . 17.9 tp -99.1 97.63 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.2 p -61.8 150.82 35.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.765 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.583 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 4.6 t70 -72.64 1.0 9.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.762 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -90.46 113.25 56.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.521 0.677 . . . . 0.0 110.974 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 149.92 67.27 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -52.98 -51.32 61.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.86 -69.71 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.22 -152.54 5.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 79.85 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.634 2.223 . . . . 0.0 112.345 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.74 -28.15 0.28 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.441 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 p -78.18 153.4 79.64 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.743 0.782 . . . . 0.0 110.818 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.3 Cg_endo -69.75 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.262 . . . . 0.0 112.37 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' PRO . 26.1 mt -37.05 149.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -72.03 144.66 48.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.446 HG22 ' CD1' ' A' ' 48' ' ' LEU . 5.7 t -114.98 124.45 71.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.2 m -96.59 117.43 30.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.445 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 91.6 m-70 -99.38 105.16 17.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.8 mt -107.16 139.52 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -98.33 104.48 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.803 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.5 t -77.76 124.68 36.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.468 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 50.6 mtm -86.0 169.44 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.0 t -139.66 124.88 18.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -122.27 92.99 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.72 52.58 41.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.31 -41.45 2.58 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -70.44 159.98 33.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.706 ' CE2' HD22 ' A' ' 85' ' ' LEU . 25.5 m-85 -128.15 144.46 51.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.991 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 t -150.94 154.35 36.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.56 ' O ' HD12 ' B' ' 11' ' ' LEU . 15.7 m -118.72 85.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.468 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 79.01 -65.92 3.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.784 ' H ' HD12 ' B' ' 13' ' ' LEU . . . -57.02 174.12 1.8 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.45 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 80' ' ' GLU . 32.1 mt -81.77 -19.82 40.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.688 0.28 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.4 ' C ' HG23 ' A' ' 81' ' ' THR . 11.8 mt-10 -45.66 172.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.4 HG23 ' C ' ' A' ' 80' ' ' GLU . 56.9 p -157.02 160.9 39.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 25.5 m-85 -144.22 147.27 33.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.3 -50.96 11.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -163.76 -178.68 5.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.706 HD22 ' CE2' ' A' ' 74' ' ' TYR . 2.1 mm? -47.82 -36.06 11.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.3 m -63.13 -53.61 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.85 -38.33 90.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -68.18 -63.11 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 85' ' ' LEU . 62.3 t -50.46 -56.71 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.156 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -44.19 -60.47 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -54.07 -20.85 7.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -93.4 -20.11 20.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.46 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 32.0 mtmt -74.08 -15.24 61.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.444 ' HG3' HG23 ' A' ' 95' ' ' THR . 5.7 ptmt -106.59 -37.01 6.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.444 HG23 ' HG3' ' A' ' 94' ' ' LYS . 59.8 p -91.78 -61.4 1.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 113.82 172.0 17.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.411 ' CG2' HD21 ' B' ' 11' ' ' LEU . 56.8 mt -121.05 136.08 59.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.743 0.306 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.508 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 8.3 tt0 -105.41 140.73 38.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -106.66 151.46 25.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.93 -58.99 4.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -42.26 -49.21 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.76 30.61 0.25 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.98 152.81 23.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.836 0.35 . . . . 0.0 111.037 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.508 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.8 m-85 -124.99 108.85 12.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.576 HG13 HG11 ' A' ' 47' ' ' VAL . 95.5 t -81.58 133.06 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.557 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.1 m-85 -119.11 129.49 55.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.702 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.2 mp -108.36 80.16 1.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -82.88 -48.46 10.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 28' ' ' PRO . 8.1 pm0 -132.19 139.54 35.24 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -163.88 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.464 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 81.1 t80 -140.59 109.2 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -102.42 126.88 49.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 114' ' ' GLY . 1.3 p -57.92 -55.24 37.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.855 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 113' ' ' SER . . . 37.44 71.11 0.22 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -12.67 33.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.72 2.28 . . . . 0.0 112.374 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 88.9 p -112.64 143.32 44.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.8 t -133.46 132.0 40.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.447 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ppp? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -55.22 94.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -102.89 44.76 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -89.9 25.84 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.88 114.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 31.2 m -59.59 141.85 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 111.174 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.7 mm -71.09 142.05 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 58.7 m -49.53 163.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.98 -175.12 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' 76' ' ' VAL . 80.9 mt -114.26 170.86 7.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.555 ' C ' ' ND2' ' B' ' 12' ' ' ASN . 0.0 OUTLIER -84.67 -27.79 26.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.784 HD12 ' H ' ' A' ' 78' ' ' GLY . 0.3 OUTLIER -43.17 -51.05 14.26 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.648 0.737 . . . . 0.0 110.927 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.657 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.4 Cg_endo -69.79 110.33 2.53 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.74 2.293 . . . . 0.0 112.322 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' B' ' 14' ' ' PRO . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.223 0 C-N-CA 122.635 2.224 . . . . 0.0 112.343 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -142.84 129.75 20.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.91 0.386 . . . . 0.0 110.875 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.0 p -138.32 121.76 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.23 148.69 6.12 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 t -75.11 101.88 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 m -86.28 46.2 1.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.38 -142.42 2.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.434 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.454 ' CZ3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -117.73 21.27 13.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.75 0.309 . . . . 0.0 110.9 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -95.41 107.06 19.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.495 ' CD2' HD13 ' A' ' 32' ' ' LEU . 58.7 m-70 -80.99 -62.22 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.832 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.01 -80.94 0.28 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.552 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -88.04 96.11 10.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.747 0.308 . . . . 0.0 110.808 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.468 ' HE2' HD22 ' A' ' 21' ' ' LEU . 41.2 ttm -155.7 127.44 7.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 t -97.91 157.4 16.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -41.4 -63.92 1.48 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.54 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.3 -33.08 52.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.78 ' O ' HD12 ' A' ' 21' ' ' LEU . 14.7 tt0 -65.74 -65.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.934 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.405 ' HA ' HD13 ' A' ' 21' ' ' LEU . . . -37.5 -52.32 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -47.0 -49.58 20.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.9 m -58.31 -63.32 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 17' ' ' GLN . 4.6 mp -46.26 -51.4 14.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.595 HD21 HD23 ' A' ' 32' ' ' LEU . 22.6 mt -60.21 -68.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.426 ' CD ' ' HB2' ' A' ' 59' ' ' PRO . 94.1 mt-30 -41.72 -44.28 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.41 -40.6 68.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' CG ' ' HB2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -57.64 -45.35 85.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.74 3.98 74.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.432 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' HB2' ' CG ' ' A' ' 25' ' ' LYS . 2.9 mm-40 -92.72 122.46 64.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.665 0.745 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 141.98 46.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.648 2.232 . . . . 0.0 112.297 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.492 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 8.3 m95 72.61 26.49 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.43 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 68.3 m -87.18 98.43 11.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.917 ' CB ' HD23 ' A' ' 107' ' ' LEU . 27.7 p90 -88.1 168.92 12.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.595 HD23 HD21 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -173.73 138.35 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.454 HG21 ' CZ3' ' A' ' 8' ' ' TRP . 16.0 t -95.91 151.57 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -167.21 113.41 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -59.65 139.18 57.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -63.45 163.01 11.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.8 mt -92.4 -54.65 3.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.4 m -89.73 -67.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.422 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 8.5 tp60 -37.36 98.91 0.17 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.635 0.731 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 39' ' ' GLN . 53.6 Cg_endo -69.84 124.0 10.62 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.69 2.26 . . . . 0.0 112.287 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.66 41.08 44.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.468 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -144.07 153.06 41.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.807 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -126.49 174.28 8.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.5 t -143.16 126.74 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.6 tp -104.6 104.6 14.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 m -91.88 140.97 29.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.67 HG11 ' CG1' ' A' ' 105' ' ' VAL . 78.4 t -145.53 132.03 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.101 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.0 tp -89.99 96.49 10.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.0 p -60.73 152.3 27.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.457 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -71.97 -1.37 14.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -85.68 117.14 68.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.517 0.675 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.28 66.4 Favored 'Trans proline' 0 C--O 1.23 0.125 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 1.8 mtpm? -70.5 -44.17 68.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.473 ' H ' ' CB ' ' A' ' 58' ' ' SER . . . -125.89 -45.39 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.515 ' N ' ' HD2' ' A' ' 56' ' ' PRO . . . 135.32 -57.96 0.68 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 55' ' ' GLY . 53.5 Cg_endo -69.76 82.17 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.354 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 58.84 32.24 69.74 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.473 ' CB ' ' H ' ' A' ' 54' ' ' ALA . 78.4 p -81.4 148.95 64.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.702 0.763 . . . . 0.0 110.856 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' HB2' ' CD ' ' A' ' 23' ' ' GLN . 53.9 Cg_endo -69.78 113.31 3.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.78 2.32 . . . . 0.0 112.309 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.439 HD22 ' C ' ' A' ' 50' ' ' ASP . 25.6 mt -36.77 144.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.69 147.02 53.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.458 HG13 HD13 ' A' ' 22' ' ' LEU . 5.7 t -114.72 125.2 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 98.8 m -99.37 128.17 45.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.493 ' CD2' ' CG2' ' B' ' 6' ' ' VAL . 86.4 m-70 -113.12 111.1 21.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.9 mt -114.5 131.93 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.462 ' HG3' ' CE2' ' B' ' 8' ' ' PTR . 15.7 mttm -82.08 109.16 16.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.8 t -86.09 109.27 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 75' ' ' THR . 35.3 mtm -62.78 146.57 52.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.1 t -121.72 100.99 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 71' ' ' GLY . 11.4 mt-10 -80.15 -174.45 4.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLU . . . -32.76 -60.3 0.41 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -140.07 0.76 2.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.41 ' CB ' ' HB ' ' A' ' 81' ' ' THR . 0.8 OUTLIER -114.85 175.27 5.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.828 0.346 . . . . 0.0 110.916 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.705 ' CE2' HD22 ' A' ' 85' ' ' LEU . 67.1 m-85 -126.22 157.3 38.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.032 0.444 . . . . 0.0 110.869 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 68' ' ' MET . 4.5 t -159.24 162.61 36.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 76' ' ' VAL . 31.1 m -129.17 102.86 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 45.28 25.6 1.23 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -134.95 168.9 23.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.3 mt -84.09 -23.76 30.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -62.38 171.45 1.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.41 ' HB ' ' CB ' ' A' ' 73' ' ' ARG . 71.1 p -149.84 167.97 25.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.543 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 35.0 m-85 -143.24 144.63 32.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -41.65 -53.17 3.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.4 m -159.36 178.52 9.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.705 HD22 ' CE2' ' A' ' 74' ' ' TYR . 3.7 mm? -47.06 -34.24 5.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.7 m -64.6 -56.04 16.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -59.75 -37.49 79.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.543 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.8 tt -69.28 -64.68 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 85' ' ' LEU . 96.2 t -50.65 -55.74 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -45.51 -56.21 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -57.52 -20.35 30.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.426 ' CD1' HG13 ' A' ' 97' ' ' ILE . 2.3 m-85 -93.84 -22.23 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -69.15 -17.27 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.001 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.55 ' HG3' HG23 ' A' ' 95' ' ' THR . 13.0 ptpt -105.86 -38.55 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.55 HG23 ' HG3' ' A' ' 94' ' ' LYS . 45.3 p -92.63 -58.48 2.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.83 165.6 25.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.557 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.426 HG13 ' CD1' ' A' ' 92' ' ' PHE . 21.4 mt -105.93 131.31 55.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.79 0.328 . . . . 0.0 111.159 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.623 ' CD ' ' CE2' ' A' ' 104' ' ' PHE . 5.5 tp10 -99.11 129.29 45.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 100' ' ' ALA . 40.3 mt-10 -94.13 128.96 40.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.85 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -34.4 -50.31 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.3 m -45.59 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.96 31.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.411 ' HB3' ' OE1' ' A' ' 99' ' ' GLU . . . -115.99 151.0 36.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.623 ' CE2' ' CD ' ' A' ' 98' ' ' GLU . 9.3 m-85 -122.87 111.57 16.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.67 ' CG1' HG11 ' A' ' 47' ' ' VAL . 97.3 t -84.53 133.94 28.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.085 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.492 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 23.1 m-85 -118.53 146.42 44.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.917 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.3 mp -125.2 95.17 4.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.456 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 28.1 mtm180 -88.51 -45.81 9.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -144.86 142.12 18.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.575 0.702 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 53.8 Cg_endo -69.66 -166.14 0.17 Allowed 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.724 2.282 . . . . 0.0 112.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.43 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 92.4 t80 -135.73 107.18 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -87.05 162.15 17.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 90.7 p -104.29 99.92 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 102.27 95.06 2.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 -5.28 15.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.634 2.223 . . . . 0.0 112.45 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.5 t -106.59 -57.18 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.2 t -80.16 94.01 5.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.473 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.779 0.323 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -128.04 111.48 13.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -51.0 136.13 23.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -62.1 174.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.18 117.34 3.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.493 ' CG2' ' CD2' ' A' ' 64' ' ' HIS . 34.2 m -101.28 137.9 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 19.4 mm -64.56 140.87 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.462 ' CE2' ' HG3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.1 m -71.48 105.12 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.788 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.462 ' O ' HD12 ' B' ' 11' ' ' LEU . 6.0 m-20 -53.56 -178.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.834 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.85 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 0.7 OUTLIER -116.55 -173.78 2.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.983 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.52 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 2.8 p30 -79.26 -54.6 5.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.654 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -42.74 -51.68 11.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.653 0.74 . . . . 0.0 110.975 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.654 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.3 Cg_endo -69.87 154.94 66.76 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.244 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.465 -0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -134.48 -44.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 t -72.77 85.81 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.902 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.25 45.77 2.23 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -93.48 134.15 36.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 0.0 110.842 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -164.87 177.19 8.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.39 169.52 12.3 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.438 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.445 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -114.2 28.93 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -102.47 132.14 48.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -112.43 -58.32 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.29 -125.15 7.02 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -57.47 104.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.8 ttm -152.58 114.32 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.5 t -72.32 148.57 45.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.07 -58.67 5.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.15 -33.23 44.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.454 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.78 ' HG2' HD11 ' A' ' 21' ' ' LEU . 7.5 tt0 -64.82 -65.38 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.792 0.33 . . . . 0.0 110.996 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HA ' HD13 ' A' ' 21' ' ' LEU . . . -35.09 -48.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.413 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 15.5 mt-10 -51.89 -48.56 64.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' GLN . 71.6 m -59.05 -54.01 51.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.202 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.78 HD11 ' HG2' ' A' ' 17' ' ' GLN . 4.9 mp -55.86 -47.34 77.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.475 HD21 HD23 ' A' ' 32' ' ' LEU . 37.1 mt -67.05 -67.03 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -42.74 -42.55 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.46 79.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -61.67 -34.9 76.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.42 35.63 91.31 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -121.4 121.58 28.43 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.586 0.708 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.66 48.65 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.471 ' CB ' ' HG3' ' A' ' 108' ' ' ARG . 6.6 m95 67.91 31.81 5.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 87.5 m -94.92 98.9 11.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.759 ' CB ' HD23 ' A' ' 107' ' ' LEU . 25.2 p90 -90.95 166.26 13.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.588 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.1 pp -167.65 132.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.445 HG21 ' CE3' ' A' ' 8' ' ' TRP . 43.5 t -93.08 130.86 41.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.532 ' HD3' HD11 ' A' ' 32' ' ' LEU . 35.8 ptt85 -143.3 147.63 35.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -71.02 153.76 42.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.55 ' OG ' HG23 ' A' ' 44' ' ' VAL . 67.8 m -83.26 163.99 20.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mp -108.68 -27.19 9.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 m -99.68 -69.31 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -64.49 116.11 25.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 124.0 10.68 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.648 2.232 . . . . 0.0 112.338 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.19 -45.23 3.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.414 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.81 144.13 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.569 ' CE1' ' CZ ' ' A' ' 74' ' ' TYR . 16.4 m-85 -106.25 171.55 7.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.55 HG23 ' OG ' ' A' ' 36' ' ' SER . 90.7 t -137.89 142.87 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.6 tp -119.75 116.09 25.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.3 m -112.16 139.8 47.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.649 HG11 HG13 ' A' ' 105' ' ' VAL . 73.3 t -140.89 149.03 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.6 tp -104.15 96.68 6.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.6 p -55.31 159.25 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -84.33 2.4 40.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -92.47 110.36 44.38 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.651 0.738 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 148.32 64.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -53.26 -47.63 68.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.8 -46.81 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.047 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.34 -143.88 7.19 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 88.27 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.19 -29.71 1.64 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.486 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.4 p -76.51 154.33 83.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 110.909 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 116.28 4.49 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.329 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.1 mt -41.74 144.48 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -71.34 144.45 49.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 63' ' ' THR . 46.5 t -108.12 153.7 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.418 ' N ' HG12 ' A' ' 62' ' ' VAL . 98.2 m -126.64 104.13 7.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.413 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 60.1 m-70 -90.71 112.39 24.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.402 ' O ' HG13 ' A' ' 44' ' ' VAL . 18.9 mt -113.0 135.78 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.403 ' CG ' ' HD2' ' B' ' 8' ' ' PTR . 19.8 mttm -88.32 113.27 23.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.0 t -87.24 104.91 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.478 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 23.0 mtm -73.32 151.5 41.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -105.28 131.54 52.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -115.85 77.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 48.87 53.93 16.12 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.436 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.47 -41.8 2.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -82.93 -179.48 7.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.598 ' CD2' HD22 ' A' ' 85' ' ' LEU . 27.0 m-85 -139.23 136.78 35.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.3 t -133.03 166.94 21.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.199 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 76' ' ' VAL . 23.7 m -129.02 86.46 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.478 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.19 -54.6 2.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.17 179.41 14.56 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.2 mt -85.81 -26.93 25.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -46.36 172.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.4 p -150.67 165.96 31.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 52.5 m-85 -143.4 136.52 27.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -36.41 -52.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -163.88 -179.83 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.598 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.5 mm? -47.66 -29.85 3.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.1 m -66.02 -57.79 6.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.171 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.77 -38.22 87.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.548 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -67.37 -63.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 85' ' ' LEU . 91.4 t -52.27 -58.14 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -46.68 -53.66 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -56.67 -21.5 28.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.403 ' CZ ' HG21 ' A' ' 76' ' ' VAL . 3.6 m-85 -93.77 -30.61 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -63.59 -17.0 62.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.959 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -106.68 -41.08 5.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 73.2 p -84.09 -56.25 3.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.55 160.53 17.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.417 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 65.5 mt -113.23 148.44 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 111.083 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -125.11 130.4 52.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -89.21 146.04 25.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.748 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -48.76 -45.52 39.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.9 m -52.78 -46.86 67.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.65 30.68 0.25 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.33 161.13 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.721 0.296 . . . . 0.0 111.177 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -128.66 105.61 8.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.649 HG13 HG11 ' A' ' 47' ' ' VAL . 70.3 t -83.96 134.04 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.465 ' HB2' ' CD2' ' A' ' 29' ' ' TRP . 18.9 m-85 -120.11 143.31 48.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.759 HD23 ' CB ' ' A' ' 31' ' ' PHE . 2.6 mp -119.05 94.28 4.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.471 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 25.2 mtm180 -89.36 -44.85 9.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -145.06 143.46 20.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.615 0.722 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.436 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.9 Cg_endo -69.71 -166.49 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.749 2.299 . . . . 0.0 112.313 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.461 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 69.9 t80 -142.46 115.96 9.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.436 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 9.4 m-85 -104.91 140.09 38.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.3 t -88.76 163.1 15.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.423 ' HA2' ' HD2' ' A' ' 115' ' ' PRO . . . 80.46 98.54 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.52 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.423 ' HD2' ' HA2' ' A' ' 114' ' ' GLY . 53.9 Cg_endo -69.71 -38.92 7.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.2 m 50.34 48.32 22.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 53.8 p -79.4 175.62 10.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.827 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.224 -0.765 . . . . 0.0 112.554 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.792 0.329 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -87.02 132.58 33.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -85.83 140.85 30.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -60.97 -62.16 2.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.41 137.95 6.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 32.7 m -107.78 145.2 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.5 mm -69.22 144.07 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.403 ' HD2' ' CG ' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.3 m -48.95 166.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -131.8 -174.68 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.748 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 83.8 mt -114.16 -176.13 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.42 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 1.3 p30 -78.95 -46.87 17.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.844 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.632 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -48.85 -52.41 46.45 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.562 0.696 . . . . 0.0 110.872 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.7 Cg_endo -69.77 149.45 66.83 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.698 2.265 . . . . 0.0 112.312 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.383 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.3 m -117.35 157.81 25.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.816 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 m -129.13 122.4 29.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.26 54.06 0.19 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -39.95 118.69 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.939 0.399 . . . . 0.0 110.875 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t -104.98 126.71 52.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.32 -140.33 30.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.418 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.532 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -119.25 27.23 8.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.78 0.324 . . . . 0.0 110.908 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -103.58 126.32 50.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -109.73 -52.87 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.19 -99.68 2.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 32.5 p-80 -69.25 110.81 4.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.638 ' CE ' HD22 ' A' ' 21' ' ' LEU . 4.4 tpp -170.02 129.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 m -83.96 142.85 30.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 17' ' ' GLN . . . -39.46 -81.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.568 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . . . -36.29 -31.75 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.512 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.734 ' HG2' HD11 ' A' ' 21' ' ' LEU . 19.9 tt0 -61.15 -65.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.566 ' HA ' HD13 ' A' ' 21' ' ' LEU . . . -34.95 -50.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' HG2' HG21 ' A' ' 62' ' ' VAL . 10.4 mt-10 -47.99 -49.76 29.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.5 m -57.89 -58.31 8.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.78 ' H ' HD12 ' A' ' 21' ' ' LEU . 4.3 mp -51.5 -50.39 60.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.868 HD21 HD23 ' A' ' 32' ' ' LEU . 32.0 mt -60.82 -64.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -46.53 -41.93 14.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.89 -33.82 69.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 tptt -66.27 -34.29 77.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.79 12.54 48.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -98.31 121.63 56.37 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.692 0.758 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.19 50.12 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.658 2.239 . . . . 0.0 112.371 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.475 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.8 m95 68.98 35.12 2.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 88.6 m -94.88 97.28 9.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.172 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.775 ' CB ' HD23 ' A' ' 107' ' ' LEU . 20.7 p90 -90.81 157.69 17.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.868 HD23 HD21 ' A' ' 22' ' ' LEU . 2.3 pp -161.9 136.34 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.532 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 6.5 t -98.39 147.39 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.484 ' NH2' HG11 ' A' ' 44' ' ' VAL . 29.0 ptt85 -160.4 147.86 16.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.75 133.99 54.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 t -74.78 144.98 43.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.813 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.6 mt -101.7 -44.27 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.7 m -53.07 -59.11 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -106.61 135.63 19.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.543 0.687 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 138.42 37.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.292 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.6 -55.16 4.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.54 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.81 157.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 3.4 m-85 -120.49 169.13 10.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.484 HG11 ' NH2' ' A' ' 34' ' ' ARG . 40.8 t -134.55 140.42 45.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.8 tp -117.51 117.01 28.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -109.45 141.97 41.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.815 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.71 HG11 HG13 ' A' ' 105' ' ' VAL . 86.8 t -144.07 138.05 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.5 tp -94.25 96.18 9.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.7 p -55.21 160.24 2.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -83.24 1.15 42.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -91.88 114.75 63.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.699 . . . . 0.0 110.947 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 150.03 67.03 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.34 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -57.78 -41.01 81.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -127.52 -45.51 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.61 -146.58 8.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.408 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 91.8 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.44 -31.09 1.95 Allowed Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.9 p -76.71 153.84 83.35 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.631 0.729 . . . . 0.0 110.898 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.67 114.87 3.83 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' PRO . 29.5 mt -37.16 148.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -72.51 145.26 47.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.448 HG21 ' HG2' ' A' ' 19' ' ' GLU . 3.9 t -109.01 141.01 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.404 HG21 HG21 ' A' ' 105' ' ' VAL . 88.3 m -115.4 110.59 19.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -97.68 111.0 23.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.8 mt -114.07 138.07 45.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.529 ' HD2' ' CD2' ' B' ' 8' ' ' PTR . 0.0 OUTLIER -76.63 147.22 37.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.9 t -123.36 95.95 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.464 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 28.7 mtm -74.31 164.02 27.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 48.0 t -122.69 115.66 22.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -83.99 74.37 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 38.26 66.76 0.58 Allowed Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.509 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.72 -41.77 2.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -101.37 -179.71 4.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.612 ' CD2' HD22 ' A' ' 85' ' ' LEU . 26.6 m-85 -126.36 148.33 49.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.5 t -151.09 167.45 27.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 76' ' ' VAL . 16.8 m -129.24 87.98 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.464 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 73.87 -61.52 2.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.31 -173.28 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.445 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.1 mt -94.19 -21.51 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.736 0.303 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -47.06 169.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.9 p -154.09 159.34 41.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.481 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 50.2 m-85 -141.14 146.63 37.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -44.95 -47.46 11.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.4 p -166.07 -177.1 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.612 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.1 mm? -50.22 -32.08 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.0 m -65.54 -56.75 10.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.54 -35.5 80.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.481 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.2 tt -67.06 -62.76 1.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 85' ' ' LEU . 66.5 t -55.06 -55.86 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.091 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -43.07 -61.54 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -53.56 -23.34 10.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -93.65 -15.98 24.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -74.39 -20.6 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -106.27 -35.05 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.9 p -85.04 -65.55 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.54 147.93 10.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.7 mt -93.33 140.79 15.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 31.1 tt0 -113.4 116.22 29.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 102' ' ' GLY . 39.6 mt-10 -79.64 142.86 35.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -40.37 -58.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.7 p -47.2 -32.33 4.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . 132.99 -35.98 2.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.458 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.33 153.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 9.6 m-85 -128.01 118.36 23.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.71 HG13 HG11 ' A' ' 47' ' ' VAL . 55.5 t -90.17 136.37 24.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.475 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 19.3 m-85 -121.49 139.41 53.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.775 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.5 mp -116.26 87.42 2.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.464 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 17.8 mtp180 -82.13 -51.46 7.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -139.84 142.82 32.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.582 0.706 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.419 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.74 -164.37 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.418 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.427 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 86.5 t80 -137.25 111.3 8.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.94 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.419 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 6.0 m-85 -95.62 143.76 26.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.91 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.4 t -88.23 -61.07 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.69 157.69 38.2 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.459 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 165.79 29.73 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.8 m -54.32 130.21 38.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.7 m -50.68 155.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.494 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mmt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.781 0.325 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -117.61 133.86 55.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -97.47 123.37 41.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -164.28 111.05 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.67 -121.03 4.18 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.398 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 5.1 m -144.63 149.04 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.821 0.343 . . . . 0.0 111.156 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.505 HG22 ' N ' ' B' ' 8' ' ' PTR . 7.7 mm -72.37 158.99 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.529 ' CD2' ' HD2' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m -60.27 102.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.65 173.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.709 ' HB3' HD22 ' B' ' 13' ' ' LEU . 6.4 mp -106.97 -174.05 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.419 ' CG ' HD13 ' B' ' 13' ' ' LEU . 2.3 p30 -84.56 -27.6 27.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.825 HD22 ' H ' ' B' ' 13' ' ' LEU . 0.2 OUTLIER -60.87 -47.79 94.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.551 0.691 . . . . 0.0 110.937 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.7 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.4 Cg_endo -69.79 162.71 41.06 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 179.874 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -148.33 152.83 37.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.918 0.389 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 t -122.19 -56.34 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.815 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.08 152.09 21.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.436 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -115.75 151.47 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -100.39 157.18 16.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.39 -75.24 0.64 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.453 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -119.15 25.88 9.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.801 0.334 . . . . 0.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -107.16 122.45 46.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -102.07 -56.03 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.73 -115.45 4.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.434 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -57.07 107.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.777 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.549 ' O ' HD13 ' A' ' 37' ' ' LEU . 18.8 tpp -164.27 139.5 5.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.9 m -99.06 145.49 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.47 -62.08 2.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.461 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.52 -25.24 6.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.467 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.88 ' HG2' HD11 ' A' ' 21' ' ' LEU . 18.3 tt0 -73.97 -64.59 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -36.25 -45.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.563 ' HA ' HG21 ' A' ' 62' ' ' VAL . 13.9 mt-10 -53.16 -46.28 68.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 17' ' ' GLN . 65.5 m -63.36 -56.31 17.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.88 HD11 ' HG2' ' A' ' 17' ' ' GLN . 4.8 mp -53.06 -49.59 66.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.738 HD21 HD23 ' A' ' 32' ' ' LEU . 18.3 mt -63.68 -65.4 0.69 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -45.07 -47.7 11.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.99 -32.46 54.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -63.12 -45.54 91.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.54 16.98 80.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.462 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -106.75 120.04 49.53 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.714 0.769 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 143.46 51.11 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.505 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 7.6 m95 70.54 27.52 3.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 83.8 m -89.58 99.48 12.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.721 ' CB ' HD23 ' A' ' 107' ' ' LEU . 16.7 p90 -91.47 163.33 14.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.738 HD23 HD21 ' A' ' 22' ' ' LEU . 1.1 pp -170.91 137.66 1.25 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.4 t -98.54 144.46 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.655 ' HD3' HD11 ' A' ' 32' ' ' LEU . 18.4 ptt85 -156.85 115.06 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' ARG . 1.9 tt0 -34.54 147.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -58.22 176.38 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 13' ' ' MET . 8.7 tp -117.77 -17.55 9.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.5 m -114.68 -71.31 0.75 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -65.68 112.08 7.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.495 0.664 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 4.2 2.36 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.68 2.253 . . . . 0.0 112.303 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.72 22.7 3.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.8 163.89 28.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 14.6 m-85 -123.37 175.9 6.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.5 t -142.57 146.75 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 tp -123.98 130.54 52.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -120.23 144.08 47.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.835 HG11 ' CG1' ' A' ' 105' ' ' VAL . 70.1 t -147.43 132.31 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.459 ' CD1' HG22 ' A' ' 62' ' ' VAL . 16.3 tp -89.11 99.73 12.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.5 p -60.14 155.55 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.505 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.9 OUTLIER -79.42 1.4 25.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -98.46 121.55 56.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.565 0.698 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 149.58 66.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.653 2.236 . . . . 0.0 112.379 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -55.51 -56.16 23.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.73 -43.18 4.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.072 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.407 ' HA3' ' HD2' ' A' ' 56' ' ' PRO . . . 170.73 -147.59 10.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.486 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD2' ' HA3' ' A' ' 55' ' ' GLY . 53.2 Cg_endo -69.8 88.01 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.674 2.249 . . . . 0.0 112.325 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 149.74 -30.99 1.12 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.8 p -80.84 154.5 73.13 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.675 0.75 . . . . 0.0 110.84 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 119.81 6.69 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.8 mt -37.94 143.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.29 148.82 50.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.563 HG21 ' HA ' ' A' ' 19' ' ' GLU . 61.6 t -115.98 111.25 34.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.568 HG23 ' OG ' ' B' ' 9' ' ' SER . 98.1 m -79.33 107.31 12.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.527 ' CE1' ' CG1' ' A' ' 62' ' ' VAL . 65.3 m-70 -96.66 116.8 29.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.1 mt -122.42 122.5 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -74.71 118.91 18.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.6 t -89.61 127.74 42.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 50.8 mtm -93.67 169.76 10.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 20.1 t -135.42 124.95 25.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -111.37 99.34 8.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.799 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 46.68 53.29 10.17 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.397 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.29 -42.14 2.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -74.36 175.84 7.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.319 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.666 ' CE2' HD22 ' A' ' 85' ' ' LEU . 42.8 m-85 -128.93 150.01 50.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.5 t -155.71 154.3 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 76' ' ' VAL . 15.6 m -120.07 86.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.097 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.93 21.28 7.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.477 ' HA2' HD22 ' B' ' 13' ' ' LEU . . . -124.53 154.41 17.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.451 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.99 -10.18 57.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.48 -179.93 7.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.1 p -156.27 171.3 20.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 53.7 m-85 -147.34 139.28 24.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -41.64 -54.17 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m -157.28 -177.37 6.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.818 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.666 HD22 ' CE2' ' A' ' 74' ' ' TYR . 4.2 mm? -50.91 -32.81 21.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.7 m -65.52 -53.56 40.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.08 -38.19 90.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.768 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.566 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.4 tt -68.25 -65.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 85' ' ' LEU . 87.8 t -51.03 -55.23 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -46.05 -51.83 13.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -60.62 -22.01 63.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.518 ' CD1' HG13 ' A' ' 97' ' ' ILE . 3.8 m-85 -93.58 -17.1 23.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -74.3 -20.19 60.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 pttp -105.1 -39.04 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.8 p -87.07 -60.52 1.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.65 154.67 22.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.414 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.518 HG13 ' CD1' ' A' ' 92' ' ' PHE . 18.0 mt -96.33 145.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.463 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 24.4 tt0 -114.18 102.22 9.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.3 141.7 52.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -44.99 -57.02 4.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.5 m -39.95 -27.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.807 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . 111.06 32.54 2.58 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.473 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -111.21 154.08 24.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.379 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 10.1 m-85 -124.44 107.51 11.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.835 ' CG1' HG11 ' A' ' 47' ' ' VAL . 65.1 t -80.55 141.93 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -124.05 134.45 53.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.721 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.1 mp -111.57 97.46 6.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.443 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 29.6 mtp85 -91.23 -49.97 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -139.89 143.94 36.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.683 0.754 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.439 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.79 -164.1 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -136.09 124.4 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.439 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 7.3 m-85 -110.68 132.99 53.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.938 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 51.5 p -81.61 128.46 33.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -116.58 172.8 14.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -177.04 1.68 Allowed 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.771 2.314 . . . . 0.0 112.313 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.9 m -93.2 -46.55 7.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.5 t -94.08 -60.14 1.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.205 -0.775 . . . . 0.0 112.417 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 62.26 42.76 9.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.69 131.39 46.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -73.06 100.7 3.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -110.84 146.93 17.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.466 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 3.8 m -116.72 140.51 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.1 mm -71.04 143.05 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.568 ' OG ' HG23 ' A' ' 63' ' ' THR . 12.5 p -48.4 157.07 0.36 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.848 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.97 176.98 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.744 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 2.4 mp -111.56 -174.88 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.513 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 1.4 p30 -77.73 -54.42 6.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.658 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -42.96 -51.46 12.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.728 . . . . 0.0 110.934 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 54.3 Cg_endo -69.68 149.48 67.46 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.655 2.236 . . . . 0.0 112.423 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.464 -0.218 0 C-N-CA 122.728 2.285 . . . . 0.0 112.338 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -148.15 112.02 5.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -103.17 133.69 47.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.25 126.24 4.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -125.15 48.55 2.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 p -106.05 146.94 29.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.79 -147.18 8.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.521 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.62 31.14 6.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.717 0.294 . . . . 0.0 110.921 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.44 ' HH ' ' HE2' ' A' ' 43' ' ' PHE . 20.5 t80 -104.06 122.25 44.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -120.95 98.78 6.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.56 151.36 32.47 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 68.33 48.46 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 110.834 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.3 ttp -145.18 118.26 8.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.3 p -82.41 -177.58 6.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.43 ' HA2' ' NH2' ' A' ' 34' ' ' ARG . . . -68.11 -57.21 8.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.499 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -41.29 -38.39 1.92 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.76 ' HG3' HD11 ' A' ' 21' ' ' LEU . 4.7 tp60 -72.46 -58.57 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.32 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.13 -43.33 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.46 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 11.3 mt-10 -53.44 -45.54 69.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.3 m -66.7 -60.04 3.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.76 HD11 ' HG3' ' A' ' 17' ' ' GLN . 5.1 mp -47.52 -35.58 9.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.677 HD21 HD23 ' A' ' 32' ' ' LEU . 30.2 mt -76.71 -59.41 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -50.13 -54.27 21.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.01 -42.39 13.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -59.82 -33.26 71.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.44 24.97 62.28 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -104.0 118.91 55.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.683 0.754 . . . . 0.0 110.823 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 141.55 45.44 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.268 . . . . 0.0 112.388 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.536 ' CZ2' ' HB3' ' A' ' 50' ' ' ASP . 7.8 m95 68.31 32.83 4.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.413 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 99.0 m -94.31 103.21 15.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.76 ' CB ' HD23 ' A' ' 107' ' ' LEU . 21.5 p90 -93.43 161.24 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.677 HD23 HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -166.56 140.14 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.401 HG11 ' HG ' ' A' ' 85' ' ' LEU . 13.8 t -101.15 152.76 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' NH2' ' HA2' ' A' ' 15' ' ' GLY . 30.8 ptt85 -164.51 118.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -39.7 152.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.5 t -74.72 161.28 29.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.34 -55.07 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -89.87 -70.14 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.428 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 69.6 mt-30 -46.22 104.63 0.41 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 0.0 110.945 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 39' ' ' GLN . 54.0 Cg_endo -69.82 110.9 2.68 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.35 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.09 -36.71 4.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.14 173.07 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.44 ' HE2' ' HH ' ' A' ' 9' ' ' TYR . 68.6 m-85 -136.35 172.16 13.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.3 t -139.04 136.9 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.7 tp -115.74 123.45 48.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.2 m -117.49 142.33 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.782 HG11 HG13 ' A' ' 105' ' ' VAL . 83.8 t -142.38 143.26 26.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 22' ' ' LEU . 22.2 tp -97.17 95.91 8.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.2 p -57.52 148.13 24.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.536 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 0.5 OUTLIER -71.15 -5.15 29.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -84.28 113.59 49.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.65 0.738 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 148.11 64.29 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -55.66 -46.67 77.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.83 -66.2 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.92 -149.35 5.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 85.91 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.274 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.76 -31.32 1.01 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.6 p -71.13 154.56 93.92 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 115.77 4.25 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.766 2.31 . . . . 0.0 112.321 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.4 mt -38.2 147.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -71.43 151.29 44.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.409 HG21 ' HA ' ' A' ' 19' ' ' GLU . 47.5 t -111.55 145.28 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.45 HG21 HG21 ' A' ' 105' ' ' VAL . 29.6 m -121.53 105.74 10.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.46 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 52.8 m-70 -95.66 111.22 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.0 mt -116.76 121.96 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -67.61 133.22 49.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.2 t -107.23 93.98 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.13 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.44 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 33.4 mtm -57.07 168.82 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 31.7 t -141.16 114.63 8.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -106.8 80.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.13 59.54 9.88 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.38 -43.48 2.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.493 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.499 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 22.3 mtp180 -66.36 171.09 5.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.535 ' CD2' HD22 ' A' ' 85' ' ' LEU . 24.8 m-85 -142.18 142.86 32.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 t -151.75 165.16 35.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 76' ' ' VAL . 29.7 m -124.71 86.37 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.44 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 75.62 -63.78 2.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.475 ' H ' HD12 ' B' ' 13' ' ' LEU . . . -58.23 170.62 4.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.535 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.7 mt -77.17 -14.28 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -49.26 170.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 p -157.12 165.29 36.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 88' ' ' LEU . 81.1 m-85 -146.7 145.7 30.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.42 -32.13 48.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.461 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 5.4 t -174.84 175.68 2.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.723 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.4 mm? -44.38 -32.98 1.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.9 m -64.58 -59.08 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.434 ' CB ' ' HB3' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -54.03 -39.96 66.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.526 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 9.9 tt -68.24 -59.7 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 85' ' ' LEU . 60.7 t -57.39 -63.58 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -42.19 -55.46 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -59.11 -25.43 63.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 89' ' ' VAL . 2.1 m-85 -93.45 -14.14 27.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.524 ' HD3' ' CZ ' ' A' ' 31' ' ' PHE . 29.0 mtmt -74.28 -18.18 60.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.451 ' HG3' HG23 ' A' ' 95' ' ' THR . 9.9 pttp -105.88 -44.18 4.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.964 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.451 HG23 ' HG3' ' A' ' 94' ' ' LYS . 44.3 p -82.92 -51.1 7.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.36 170.59 30.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 23.2 mt -115.97 136.31 53.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.778 0.323 . . . . 0.0 111.118 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 54.7 tt0 -104.06 132.66 50.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -99.94 165.78 11.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 101' ' ' SER . . . -68.22 -61.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.062 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' ALA . 1.2 t -35.17 -48.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.02 30.43 0.32 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -114.73 156.21 25.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 10.4 m-85 -124.99 113.89 18.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.918 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.782 HG13 HG11 ' A' ' 47' ' ' VAL . 54.6 t -82.75 131.66 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.518 ' HB2' ' CD2' ' A' ' 29' ' ' TRP . 22.3 m-85 -117.22 133.67 55.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.76 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.3 mp -112.72 74.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.468 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 7.1 mtt180 -75.95 -49.61 17.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -135.76 140.01 32.41 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.59 0.71 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -163.69 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.377 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.455 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 86.6 t80 -134.81 115.86 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -100.58 125.91 47.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.1 m -90.48 89.15 7.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 58.99 -178.91 1.67 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 171.19 14.85 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.614 2.209 . . . . 0.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.2 m -107.17 170.26 8.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 79.9 p -123.05 116.19 23.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.913 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 CA-C-O 119.079 -0.845 . . . . 0.0 112.403 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.4 mmm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.806 0.336 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.25 42.05 12.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -108.12 81.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -71.77 178.37 3.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.91 83.22 0.63 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.562 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 34.0 m -64.62 138.79 22.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 111.091 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 17.6 mm -66.23 145.51 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -89.04 119.14 29.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.58 -174.17 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.7 mt -121.96 173.38 7.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.805 ' ND2' HD23 ' B' ' 13' ' ' LEU . 0.0 OUTLIER -89.19 -32.54 17.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.805 HD23 ' ND2' ' B' ' 12' ' ' ASN . 0.2 OUTLIER -34.39 -54.36 0.91 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.627 0.727 . . . . 0.0 110.905 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 54.4 Cg_endo -69.68 148.67 66.1 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.709 2.272 . . . . 0.0 112.379 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.696 2.264 . . . . 0.0 112.359 179.883 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 t -39.41 139.69 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 110.797 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -135.54 149.99 49.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.53 70.85 0.21 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 m 52.37 47.71 24.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 110.877 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -102.34 130.18 49.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.15 161.6 35.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.407 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 0.0 OUTLIER -122.75 31.15 6.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 110.947 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -105.3 122.68 46.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -100.18 -53.86 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.796 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.52 -136.21 13.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.432 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 12' ' ' HIS . 25.9 p-80 -55.4 110.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.5 tpp -161.86 126.94 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.799 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.0 p -81.18 -179.29 7.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.469 ' HA3' ' CG2' ' B' ' 6' ' ' VAL . . . -72.87 -60.5 3.88 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.09 -30.36 3.88 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.721 ' O ' HD12 ' A' ' 21' ' ' LEU . 7.2 tt0 -72.75 -64.58 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.926 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.402 ' HB2' ' NE ' ' A' ' 34' ' ' ARG . . . -39.38 -45.69 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.444 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 20.5 mt-10 -53.19 -46.72 69.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.4 m -61.45 -61.96 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.721 HD12 ' O ' ' A' ' 17' ' ' GLN . 5.0 mp -46.55 -50.56 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.549 HD21 HD23 ' A' ' 32' ' ' LEU . 30.5 mt -59.63 -69.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -41.64 -44.17 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.39 70.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' CG ' ' HB2' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -59.48 -36.0 75.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.07 29.97 76.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.506 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.409 ' HB2' ' CG ' ' A' ' 25' ' ' LYS . 15.0 mt-10 -117.69 123.59 29.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.707 0.765 . . . . 0.0 110.86 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 143.25 50.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.766 2.31 . . . . 0.0 112.304 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.559 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 6.8 m95 67.59 34.76 4.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 92.0 m -97.32 97.17 8.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.554 ' CB ' HD23 ' A' ' 107' ' ' LEU . 29.1 p90 -88.52 165.43 14.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.549 HD23 HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -166.89 129.33 1.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.3 t -92.02 132.32 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.402 ' NE ' ' HB2' ' A' ' 18' ' ' ALA . 42.7 ptt85 -147.22 128.46 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.821 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -43.65 151.33 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 t -84.52 158.0 21.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -103.77 -66.61 0.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t -43.36 -74.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -82.94 131.0 55.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.669 0.747 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 145.38 56.71 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.686 2.257 . . . . 0.0 112.387 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.461 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 75.44 -46.92 1.99 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.552 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -43.47 166.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.461 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 5.6 m-85 -131.13 172.72 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.7 t -138.05 151.07 24.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.7 tp -126.29 102.57 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 m -99.1 135.45 40.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.603 HG11 HG13 ' A' ' 105' ' ' VAL . 93.3 t -138.99 143.1 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.425 ' HG ' ' CB ' ' A' ' 60' ' ' LEU . 18.4 tp -98.52 97.09 8.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.2 p -54.43 156.83 3.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.457 ' CB ' ' CZ2' ' A' ' 29' ' ' TRP . 10.4 t70 -81.05 1.23 32.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -94.13 115.35 65.09 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.62 0.724 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 152.03 69.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.314 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -58.16 -41.78 84.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -125.64 -58.83 1.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.79 -148.84 5.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 86.47 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.744 2.296 . . . . 0.0 112.394 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.41 -27.0 1.09 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.523 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 99.2 p -79.21 153.21 76.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.628 0.728 . . . . 0.0 110.92 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 60' ' ' LEU . 54.3 Cg_endo -69.71 114.77 3.8 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 59.7 mt -36.57 149.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -73.63 147.38 43.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.431 HG21 ' HA ' ' A' ' 19' ' ' GLU . 18.4 t -109.82 148.47 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.2 m -125.47 117.45 23.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.444 ' CE1' ' HG3' ' A' ' 19' ' ' GLU . 74.0 m-70 -99.38 120.19 39.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.791 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 53.8 mt -127.11 112.06 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -69.34 117.47 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.0 t -86.2 106.23 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.0 mtm -68.98 156.91 37.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.2 t -133.65 124.04 26.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -114.12 89.38 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.37 49.77 73.08 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.32 -48.27 1.13 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.539 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -65.58 158.48 27.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.808 ' CE2' HD22 ' A' ' 85' ' ' LEU . 25.6 m-85 -123.65 153.52 40.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.962 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 t -159.12 174.32 15.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 76' ' ' VAL . 35.7 m -140.38 105.56 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.213 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . 37.96 26.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.481 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 76' ' ' VAL . . . -141.03 147.25 18.86 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.405 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.3 mp -59.88 -27.6 66.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -52.44 174.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.1 p -156.31 169.23 25.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.494 ' CG ' ' HA ' ' A' ' 88' ' ' LEU . 85.1 m-85 -149.41 138.77 21.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -41.58 -51.61 3.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.7 p -158.88 176.43 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.808 HD22 ' CE2' ' A' ' 74' ' ' TYR . 2.9 mm? -46.49 -31.54 2.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.1 m -64.77 -54.33 33.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -65.66 -33.24 75.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.494 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 10.2 tt -70.7 -62.02 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 85' ' ' LEU . 64.7 t -55.14 -59.11 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -42.89 -61.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -54.31 -21.52 9.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -93.7 -18.85 21.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -74.07 -18.81 60.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HG3' HG23 ' A' ' 95' ' ' THR . 11.5 ptpt -106.8 -35.72 6.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.918 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.414 HG23 ' HG3' ' A' ' 94' ' ' LYS . 80.7 p -87.83 -40.45 14.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.26 165.9 41.52 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 76.5 mt -118.14 142.27 33.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.539 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 23.9 tt0 -108.8 142.25 39.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -101.66 151.96 21.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -53.88 -59.09 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.5 m -44.79 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.95 30.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.425 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -110.71 156.0 21.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 8.9 m-85 -127.3 114.05 17.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.603 HG13 HG11 ' A' ' 47' ' ' VAL . 83.8 t -84.72 132.19 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.559 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 23.0 m-85 -120.16 132.93 55.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.554 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.6 mp -109.53 96.59 6.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.469 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 33.0 mtp180 -93.58 -45.57 7.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -143.88 142.88 21.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.619 0.723 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.456 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 54.7 Cg_endo -69.69 -165.75 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.634 2.223 . . . . 0.0 112.433 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.434 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 86.1 t80 -137.8 107.97 6.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.456 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 15.7 m-85 -93.8 155.15 17.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.5 t -97.54 149.52 22.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.864 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.54 115.63 3.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.29 59.53 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.65 2.233 . . . . 0.0 112.358 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.4 m -102.96 78.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.4 t -90.67 93.48 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.916 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.497 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.9 mmt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.734 0.302 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -62.79 101.1 0.23 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -70.05 86.04 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -77.25 86.97 3.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.88 124.36 4.92 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.469 ' CG2' ' HA3' ' A' ' 15' ' ' GLY . 27.1 m -88.81 142.31 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.791 0.329 . . . . 0.0 111.154 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.474 HG22 ' N ' ' B' ' 8' ' ' PTR . 17.1 mm -70.17 159.05 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.474 ' N ' HG22 ' B' ' 7' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.5 m -49.43 169.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.49 -175.0 3.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.601 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 89.9 mt -112.47 -175.37 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.442 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 2.6 p30 -78.87 -50.01 11.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.636 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -46.47 -52.44 29.86 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 110.882 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.1 Cg_endo -69.76 141.68 45.87 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.674 2.25 . . . . 0.0 112.359 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -67.81 167.93 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 110.856 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -146.53 133.99 20.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.06 -167.27 30.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 p -166.99 135.03 2.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.955 0.407 . . . . 0.0 110.845 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.8 p -116.78 138.12 51.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.66 -134.2 1.71 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.475 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -116.9 18.63 14.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.943 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -92.05 124.37 36.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -102.98 -56.37 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.97 -128.92 9.54 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -50.66 101.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.478 ' SD ' ' HB2' ' A' ' 18' ' ' ALA . 29.5 ttm -163.8 139.8 6.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.427 ' HA ' HD11 ' A' ' 37' ' ' LEU . 89.1 p -104.15 172.48 6.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.35 -61.33 7.61 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.543 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.36 -43.77 7.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.746 ' HG3' HD11 ' A' ' 21' ' ' LEU . 7.4 tp60 -64.04 -64.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 0.0 110.901 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' HB2' ' SD ' ' A' ' 13' ' ' MET . . . -37.48 -44.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -57.01 -45.83 82.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 17' ' ' GLN . 70.5 m -63.8 -55.1 25.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.746 HD11 ' HG3' ' A' ' 17' ' ' GLN . 5.2 mp -53.52 -37.21 62.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.486 ' HG ' HD23 ' A' ' 32' ' ' LEU . 29.9 mt -76.96 -66.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -44.48 -46.42 9.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.89 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -58.66 -40.33 83.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.35 14.62 71.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.508 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -100.64 121.35 53.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.7 58.0 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.566 ' CE3' ' HB2' ' A' ' 106' ' ' TYR . 7.8 m95 67.09 34.59 4.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 111' ' ' TYR . 92.0 m -97.51 97.75 9.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.671 ' CB ' HD23 ' A' ' 107' ' ' LEU . 26.6 p90 -88.71 154.68 20.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.723 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -154.89 133.84 12.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.516 HG11 ' HG ' ' A' ' 85' ' ' LEU . 17.1 t -95.93 146.44 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -162.8 142.6 9.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.809 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.62 149.43 27.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.1 m -68.7 178.43 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 37' ' ' LEU . 3.6 mp -109.53 -44.96 3.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.4 t -70.84 -64.71 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -91.7 107.2 20.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.518 0.675 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.16 2.95 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.698 2.265 . . . . 0.0 112.259 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.76 1.91 24.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.54 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -118.39 147.98 42.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -122.9 177.18 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.7 t -149.69 150.77 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.471 HD21 HD21 ' A' ' 107' ' ' LEU . 14.0 tp -127.14 119.72 27.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.2 m -105.89 142.29 35.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.625 HG11 ' CG1' ' A' ' 105' ' ' VAL . 84.4 t -140.15 133.72 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' CD1' HG22 ' A' ' 62' ' ' VAL . 17.6 tp -89.95 96.04 10.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.1 p -61.13 156.41 18.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 6.6 t70 -78.61 2.08 20.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -90.56 115.05 63.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.485 0.659 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 145.5 57.25 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -56.35 -47.05 79.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.22 -60.19 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.81 -146.95 5.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 85.44 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.677 2.251 . . . . 0.0 112.363 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.19 -24.98 1.41 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.3 p -78.46 153.48 78.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.692 0.758 . . . . 0.0 110.826 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 115.03 3.91 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.314 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 44.4 mt -37.25 145.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.006 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -66.25 150.25 49.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.429 HG22 ' CD1' ' A' ' 48' ' ' LEU . 69.1 t -119.99 112.49 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.426 HG22 HG13 ' A' ' 65' ' ' ILE . 88.1 m -85.61 122.87 30.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.189 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -101.77 106.84 17.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.546 HD13 HD13 ' A' ' 97' ' ' ILE . 26.4 mt -112.31 102.07 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.531 ' HE3' ' CD1' ' B' ' 8' ' ' PTR . 5.8 ptpp? -64.4 132.35 49.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.7 t -101.04 112.09 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.473 ' CE ' ' H ' ' A' ' 77' ' ' GLY . 45.7 mtm -80.49 157.1 26.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.7 t -126.33 138.08 53.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -128.77 75.1 1.62 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.3 58.17 5.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.43 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.9 -45.33 2.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -71.39 174.7 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.684 ' CE2' HD22 ' A' ' 85' ' ' LEU . 30.2 m-85 -137.88 141.27 40.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 t -144.16 161.26 39.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.144 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.553 ' HB ' HD21 ' B' ' 11' ' ' LEU . 2.2 m -126.16 86.7 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.473 ' H ' ' CE ' ' A' ' 68' ' ' MET . . . 76.59 -56.65 3.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.412 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.44 165.74 31.47 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.7 mt -76.44 -23.13 53.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.344 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -50.09 177.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.8 p -155.34 170.07 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.261 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.513 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 58.3 m-85 -146.54 141.63 27.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -39.54 -54.13 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.43 ' HA ' ' CD2' ' A' ' 74' ' ' TYR . 17.2 p -161.67 -178.4 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.684 HD22 ' CE2' ' A' ' 74' ' ' TYR . 4.1 mm? -46.9 -30.8 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.1 m -67.49 -60.63 2.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -57.11 -37.06 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.513 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.3 tt -68.76 -62.67 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 85' ' ' LEU . 84.1 t -53.73 -58.19 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -44.41 -57.75 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -54.65 -23.91 19.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.562 ' CD1' HG13 ' A' ' 97' ' ' ILE . 4.5 m-85 -93.65 -15.66 25.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -74.83 -19.67 60.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.425 ' HG3' HG23 ' A' ' 95' ' ' THR . 21.6 pttt -105.85 -36.06 7.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.425 HG23 ' HG3' ' A' ' 94' ' ' LYS . 70.9 p -87.95 -56.11 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.04 153.07 25.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.427 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.562 HG13 ' CD1' ' A' ' 92' ' ' PHE . 24.2 mt -101.04 139.5 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.335 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.488 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 51.4 tt0 -111.86 118.58 35.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.487 ' OE2' ' HB3' ' A' ' 103' ' ' ALA . 1.7 mp0 -87.67 135.39 33.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' B' ' 11' ' ' LEU . . . -40.37 -52.92 2.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 m -40.24 -39.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.16 28.84 1.18 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.487 ' HB3' ' OE2' ' A' ' 99' ' ' GLU . . . -112.1 152.01 28.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.488 ' CE1' ' HB2' ' A' ' 98' ' ' GLU . 9.7 m-85 -121.69 106.8 11.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.625 ' CG1' HG11 ' A' ' 47' ' ' VAL . 95.6 t -80.43 128.28 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.117 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.566 ' HB2' ' CE3' ' A' ' 29' ' ' TRP . 21.9 m-85 -113.76 128.34 56.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.671 HD23 ' CB ' ' A' ' 31' ' ' PHE . 1.3 mp -105.36 87.37 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.457 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 39.3 mtp180 -81.05 -50.01 10.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -141.94 144.06 30.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.549 0.69 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.542 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 53.8 Cg_endo -69.79 -164.64 0.13 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.685 2.257 . . . . 0.0 112.32 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.438 ' HB2' ' CG2' ' A' ' 30' ' ' THR . 89.7 t80 -133.98 102.59 5.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.542 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 7.2 m-85 -86.52 111.58 20.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.6 t -64.35 -55.09 23.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.784 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 102.41 141.94 12.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.479 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 -15.34 36.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.643 2.229 . . . . 0.0 112.343 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.1 t -57.7 -48.7 78.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 79.4 p -39.33 -54.2 1.88 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.811 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.198 -0.779 . . . . 0.0 112.518 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.4 ttp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.791 0.329 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -108.27 136.0 48.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -52.01 150.55 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -70.0 128.76 37.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.82 131.88 2.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.439 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -120.41 140.94 42.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.806 0.336 . . . . 0.0 111.187 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.401 HG22 ' N ' ' B' ' 8' ' ' PTR . 9.7 mm -69.74 153.97 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' PTR . . . . . 0.531 ' CD1' ' HE3' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.414 ' HB2' HG23 ' A' ' 63' ' ' THR . 17.0 m -89.06 100.08 12.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.3 177.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.553 HD21 ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -107.41 -174.84 2.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.508 ' CG ' ' N ' ' B' ' 13' ' ' LEU . 1.8 p30 -80.1 -53.72 6.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.641 ' N ' ' HD2' ' B' ' 14' ' ' PRO . 0.0 OUTLIER -43.02 -51.71 12.63 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' B' ' 13' ' ' LEU . 53.4 Cg_endo -69.78 110.5 2.57 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.287 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.155 0 C-N-CA 122.639 2.226 . . . . 0.0 112.38 179.893 . . . . . . . . 0 0 . 1 stop_ save_